TERTIARY DODECYL MERCAPTAN
TERTIARY DODECYL MERCAPTAN
Tertiary dodecyl mercaptan is widely used in the chemical industry as a chain transfer agent, particularly in the polymerization of styrene, acrylics, and other vinyl monomers.
Tertiary dodecyl mercaptan is insoluble in water, but soluble in alcohol, ether, acetone, benzene, gasoline, and other organic solvents and esters.
Tertiary dodecyl mercaptan is commonly used in the manufacturing process of styrene/butadiene latex for use in the carpet and paper industries.
CAS Number: 25103-58-6
EC Number: 246-619-1
Molecular Weight: 202.40
Molecular Formula: C12H26S
Synonyms: 2-Methylundecane-2-thiol, 2-Undecanethiol, 2-methyl-, 2-Nonyl-2-propanethiol, 2-Methylundecyl-2-thiol, Tertiary dodecyl mercaptan, 2-methyl-2-undecanethiol, 2-methyl-undecane-2-thiol, SCHEMBL21128, 1,1-Dimethyl-decyl-mercaptan, SCHEMBL564605, C12H26S, DTXSID00143406, 1,1-Dimethyldecyl hydrosulfide , ZINC597503, TERT-DODECANETHIOL, tert-Dodecyl mercaptan, t-Dodecanethiol, Sulfole 120, t-DDM, 2,3,3,4,4,5-hexamethylhexane-2-thiol, t-Dodecylmercaptan, G00MDQ58TB, NCGC00091163-03, CCRIS 6030, tert-Lauryl Mercaptan, terc.Dodecylmerkaptan [Czech], 2,3,3,4,4,5-Hexamethyl-2-hexanethiol, EINECS 246-619-1, terc.Dodecylmerkaptan, BRN 1738382, TERT-DODECYL THIOL, DSSTox_CID_5221, T-DODECYL MERCAPTAN, UNII-G00MDQ58TB, DSSTox_RID_77707, DSSTox_GSID_25221, SCHEMBL3332338, CHEMBL1325985, DTXSID1025221, Tox21_400018, AKOS015900250, n-(2-chloroethyl)-n-(3-pyridinyl)urea, NCGC00091163-01, NCGC00091163-02, NCGC00091163-04, CAS-25103-58-6, EC 246-619-1, 3-01-00-01794 (Beilstein Handbook Reference), Q2405872, tert-dodecanethiol, tert-dodecyl mercaptan, tert-dodecylmercaptan, tert-dodecylthiol, 2,3,3,4,4,5-hexamethyl-2-hexanethiol, 2,3,3,4,4,5-hexamethylhexane-2-thiol, 2-hexanethiol, 2,3,3,4,4,5-hexamethyl-, 2,4,4,6,6-pentamethyl heptane-2-thiol, 2,4,4,6,6-pentamethyl-2-heptane thiol, 2,4,4,6,6-pentamethyl-2-heptanethiol, t-dodecanethiol, 2,2,4,6,6-Pentamethyl-4-heptanethiol [ACD/IUPAC Name], 2,2,4,6,6-Pentaméthyl-4-heptanethiol [French] [ACD/IUPAC Name], 2,2,4,6,6-Pentamethyl-4-heptanthiol [German] [ACD/IUPAC Name], 2,2,4,6,6-Pentamethylheptane-4-thiol, 25103-58-6 [RN], 296-714-7 [EINECS], 4-Heptanethiol, 2,2,4,6,6-pentamethyl- [ACD/Index Name], MFCD00043233 [MDL number], tert-Dodecylmercaptan, tert-Dodecanethiol, tert-Dodecanethiol (mixture of isomers), TERT-DODECYL MERCAPTAN, tert-dodecylthiol
Tertiary dodecyl mercaptan is an organosulfur compound with the molecular formula C₁₂H₂₅SH.
Tertiary dodecyl mercaptan is a clear, colorless to pale yellow liquid with a distinctive sulfurous odor.
Tertiary dodecyl mercaptan is widely used in the chemical industry as a chain transfer agent, particularly in the polymerization of styrene, acrylics, and other vinyl monomers.
By controlling molecular weight during polymerization, Tertiary dodecyl mercaptan ensures desired properties in the resulting polymers, such as elasticity, strength, and processing ease.
Tertiary dodecyl mercaptan’s branched structure, due to the tertiary positioning of the dodecyl group, enhances its reactivity, making it a preferred choice in the production of synthetic rubbers, plastics, adhesives, and coatings.
In addition to its role in polymerization, Tertiary dodecyl mercaptan can also act as an intermediate in the manufacture of other chemicals.
Despite its industrial utility, Tertiary dodecyl mercaptan must be handled with care due to its potential toxicity and strong odor, requiring proper ventilation and protective equipment during use.
Tertiary dodecyl mercaptan is a clear white to pale yellow liquid with a repulsive odor.
Tertiary dodecyl mercaptan is colorless oil liquid, and diffuses foul smell.
Tertiary dodecyl mercaptan is insoluble in water, soluble in alcohol, ether, acetone, benzene, gasoline and other organic solvents and esters.
Tertiary dodecyl mercaptan is mainly used as molecular weight modifier.
Tertiary dodecyl mercaptan is an effective collector for sphalerite with less CuSO4 and without frother.
Tertiary dodecyl mercaptan chemisorbs on the minerals surface.
Adsorption modes of Tertiary dodecyl mercaptan on mineral surfaces are obtained by first-principle study.
Absorption energies of Tertiary dodecyl mercaptan on ZnS (110) and FeS2 (100) are 394.78, 219.33 kJ/mol.
Reactions happen between S 3p orbital of Tertiary dodecyl mercaptan and 3d of Zn/Fe orbital of minerals.
In the flotation of sphalerite, the concomitant flotation of sulfidic (pyrite) and nonsulfidic gangue (silica) minerals significantly reduces the grade of the float concentrate.
Laboratory scale experiments have been conducted to investigate the effect of tert dodecyl mercaptan as a collector on the flotation of sphalerite.
The addition of only 160 g/t copper sulfate, which is 30% of that which is being used currently in the xanthate reagent scheme, improves the grade and the recovery.
The selectivity for sphalerite, with respect to pyrite, has been improved significantly when copper sulfate is added with lime as the depressant, and the results could be achieved.
Based on the results obtained, the interaction of tert dodecyl mercaptan with sphalerite has been investigated by adsorption measurement, fourier transform infrared (FTIR) and density functional theory (DFT).
Tertiary dodecyl mercaptan is adsorbed on sphalerite surface chemically with some characteristic peaks appeared and migrated on sphalerite surface in FTIR tests.
Compared with butyl xanthate, a stronger interaction between Tertiary dodecyl mercaptan and sphalerite is determined by analyses of frontier orbital energy calculation.
Tertiary dodecyl mercaptan is also indicated that, by adsorption energy calculation, a strong interaction between Tertiary dodecyl mercaptan and ZnS (110) surface occurs, with the energy 394.78 kJ/mol.
The S3p orbital on Tertiary dodecyl mercaptan interacted strongly with Zn 3d orbital on ZnS (110) surface, and electrons transferred from the Zn atom to the O atom, which resulted in a positive coordinate bond formed.
Tertiary dodecyl mercaptan is a combination of isometric thiols obtained from oligomers of isobutylene trimer or propylene tetramer.
Manufacturers pick one of these two and mix Tertiary dodecyl mercaptan with hydrogen sulfide, then pass the mixture over a catalyst like boron trifluoride to produce Tertiary dodecyl mercaptan.
Tertiary dodecyl mercaptan has recently become a significant industrial chemical because of its use as a chain transfer agent in the manufacture of latex.
As an agent, Tertiary dodecyl mercaptan helps in the polymerization of the end products.
This role used to be given to chloroform, carbon tetrachloride, and other compounds of chlorine.
However, their toxicity and negative ecological impact made the industry look for alternatives.
Tertiary dodecyl mercaptan is used as an intermediate, as a process regulator, and as an additive to lubricants.
This appears as a colorless liquid with a repulsive odor.
Tertiary dodecyl mercaptan is commonly used in the manufacturing process of polymers based on butadiene and styrene (SB latex, SB rubber, ABS…)
Tertiary dodecyl mercaptan is a transitional ‘existing’ substance which was discussed by the former EU PBT Working Group on a number of occasions.
Tertiary dodecyl mercaptan is registered under the REACH Regulation and is manufactured in and / or imported to the European Economic Area, at ≥ 10 000 to < 100 000 tonnes per annum. Tertiary dodecyl mercaptan is used in formulation or re-packing, at industrial sites and in manufacturing. The kinetic of consumption of Tertiary dodecyl mercaptan in emulsion polymerization of chloroprene in the presence of various amounts of sulphur have been studied. Tertiary dodecyl mercaptan is shown that during the entire course of polymerization of chloroprene the relative rate of consumption of Tertiary dodecyl mercaptan increases as the concentration of sulphur, the second regulator, is increased. Increase in the degree of conversion and decrease in the concentration of sulphur cause an increase in the molecular weight and in the breadth of the molecular weight distribution of the polymer. A molecular mechanism of control of the MWD and average molecular weight of polychloroprene by this combined regulator system is proposed. Applications of Tertiary Dodecyl Mercaptan: Tertiary dodecyl mercaptan is the chemical compound with the formula C12H26S. Tertiary dodecyl mercaptan is commonly used as a chain transfer agent in the manufacturing process of styrene/butadiene latex for use in carpet and paper industries. Tertiary dodecyl mercaptan is compound from the group of thiols. Tertiary dodecyl mercaptan is a mixture of isomers where the position of the thiol group varies. Tertiary dodecyl mercaptan is used predominantly as a molecular weight regulator in manufacturing of butadiene and styrene-based polymers. Tertiary dodecyl mercaptan is used as a synthetic chemical. Tertiary dodecyl mercaptan is used primarily as a molecular weight regulator in polymerizations used, in particular for free-radical polymerizations of vinylic monomers such as of butadiene, styrene, carboxylated styrene, acrylic acid, acrylonitrile, acrylic esters, vinyl ethers or their mixtures, wherein particularly the emulsion in water. Tertiary dodecyl mercaptan is commonly used as a chain transfer agent in the manufacturing process of styrene/butadiene latex for use in carpet and paper industries. A gas chromatographic technique has been successfully developed for the measurement of Tertiary dodecyl mercaptan based on its sulfur content for material identification, trend analysis, or for the monitoring of un-reacted residual material in final products. The method employs low thermal mass gas chromatography (LTM-GC) and a dual-plasma sulfur chemiluminescence detector (DP-SCD) to attain a high degree of sensitivity and selectivity. Using the technique described, a detection limit in the range of 0.5 ppm (v/v) Tertiary dodecyl mercaptan and less than 1 min analysis time can be achieved. Response is linear over four orders of magnitude with high degree of repeatability of less than 5% RSD. In the process of manufacturing latex such as styrene-butadiene, a chain transfer agent is required. The chain transfer agent assists in the polymerization to make products of the desired molecular distribution. Previously, chlorinated compounds such as carbon tetrachloride and chloroform have been used for this application, but because of their toxicity and negative environmental effects, Tertiary dodecyl mercaptan is no longer a practice to employ said compounds for the manufacturing of latex used for the carpet and paper industries. Instead, use of Tertiary dodecyl mercaptan is preferred for the applications described. As a result of the world demand for latex and the magnitude of the associated industries, Tertiary dodecyl mercaptan has become a chemical of industrial significance. Other Applications: Packaging & Paper Coatings & Adhesives Automotive & Transportation Chemical & Plastics Uses of Tertiary Dodecyl Mercaptan: Tertiary dodecyl mercaptan is a polymerization regulator for synthetic rubber, synthetic resin, and synthetic fiber. Tertiary dodecyl mercaptan is especially commonly used in the manufacture of styrene-butadiene rubber and ABS resin. Tertiary dodecyl mercaptan can reduce the branching degree of polymer chains and make the molecular weight distribution uniform. Tertiary dodecyl mercaptan is often used as an intermediate for non-ionic surfactants and organic synthesis. Tertiary dodecyl mercaptan is used to make fungicides, pesticides, rust inhibitors, lubricating oil additives, drugs, etc. Tertiary dodecyl mercaptan can also be used as "golden water" and oil well acidifier in the ceramic industry. Tertiary dodecyl mercaptan is the best relative molecular mass regulator and chain transfer agent in the polymerization process of styrene-butadiene rubber, nitrile rubber, synthetic resin, etc. Tertiary dodecyl mercaptan is commonly used in the manufacturing process of polymers based on butadiene and styrene. Tertiary dodecyl mercaptan is commonly used as a chain transfer agent in the manufacturing process of styrene/butadiene latex for use in carpet and paper industries. A gas chromatographic technique has been successfully developed for the measurement of Tertiary dodecyl mercaptan based on its sulfur content for material identification, trend analysis, or for the monitoring of un-reacted residual material in final products. Previously, chlorinated compounds such as carbon tetrachloride and chloroform have been used for this application, but because of their toxicity and negative environmental effects, Tertiary dodecyl mercaptan is no longer a practice to employ said compounds for the manufacturing of latex used for the carpet and paper industries. Instead, use of Tertiary dodecyl mercaptan is preferred for the applications described. As a result of the world demand for latex and the magnitude of the associated industries, Tertiary dodecyl mercaptan has become a chemical of industrial significance. Tertiary dodecyl mercaptan is used in lubricant intermediates to produce additives as well as final components to improve lubricant performance in base oils and metal working fluids. Tertiary dodecyl mercaptan is a main component to produce metallic decoration (inks) for food packaging (porcelain, ceramics glass). Tertiary dodecyl mercaptan is also a lubricant additive used to improve lubricant performance in base oils and metal working fluids. Last but not least, Tertiary dodecyl mercaptan is a chain transfer agent in process where control of molecular weigh is critical from Polymer Modifiers in paint and coatings for emulsion polymerization, adhesives (pressure sensitive adh. for labeling) and surfactants & emulsifiers. Tertiary dodecyl mercaptan is a combination of isometric thiols obtained from oligomers of isobutylene trimer or propylene tetramer. Manufacturers pick one of these two and mix Tertiary dodecyl mercaptan with hydrogen sulfide, then pass the mixture over a catalyst like boron trifluoride to produce Tertiary dodecyl mercaptan. Tertiary dodecyl mercaptan has recently become a significant industrial chemical because of its use as a chain transfer agent in the manufacture of latex. As an agent, Tertiary dodecyl mercaptan helps in the polymerization of the end products. This role used to be given to chloroform, carbon tetrachloride, and other compounds of chlorine. However, their toxicity and negative ecological impact made the industry look for alternatives. Tertiary dodecyl mercaptan is used as an intermediate, as a process regulator, and as an additive to lubricants. Tertiary dodecyl mercaptan appears as a colorless liquid with a repulsive odor. Tertiary dodecyl mercaptan is colorless oil liquid, and diffuses foul smell. Tertiary dodecyl mercaptan is insoluble in water, soluble in alcohol, ether, acetone, benzene, gasoline and other organic solvents and esters. Tertiary dodecyl mercaptan is mainly used as molecular weight modifier. Tertiary dodecyl mercaptan has been found to degrade slowly under aerated conditions, with a half-life of approximately 150 days in both algal medium and pH 7 buffer. Under unventilated conditions, the half-life of Tertiary dodecyl mercaptan was found to be approximately 30 days in algal medium and 100 days in pH 7 buffer. In addition, analyzes were also performed for di-tert-dodecyl disulfide, the expected oxidation product of Tertiary dodecyl mercaptan. This was detected at a concentration of 0.2-0.3 mg/l in the unventilated algal environment experiment, but was at or below the quantification limit (~0.1 mg/l) in other experimental systems. Tertiary dodecyl mercaptan was concluded that the ditert-dodecyl disulfide levels found were not exactly responsible for the degradation level of Tertiary dodecyl mercaptan; this implied that degradation mechanisms other than oxidation could also occur. Tertiary dodecyl mercaptan was also concluded in the log file that the 30-day half-life measured in the unventilated algae environment was probably falsely short due to poor agreement between replicates for subsequent samples, and overall this test indicated that Tertiary dodecyl mercaptan could degrade. Slow in solution but the path/mechanism of degradation is unclear. When evaluating this test, Tertiary dodecyl mercaptan should be noted that Tertiary dodecyl mercaptan is relatively volatile (vaporpressure at 25 ° C 20 Pa). The full test report of the study, the measures taken to avoid potential loss from evaporation (use of sealed bottles and sampling via septa). Therefore, volatile loss is unlikely to contribute. Significantly appeared in the removal of Tertiary dodecyl mercaptan. Another point worth noting is this: Although the test was performed using 10% v/v acetonitrile as a co-solvent, The Tertiary dodecyl mercaptan concentration (10 mg/l) used is well above the recently determined water 0.0039 mg/l solubility. Solubility of Tertiary dodecyl mercaptan in an acetonitrile: water mixture unknown, but Tertiary dodecyl mercaptan is possible that in this case not all of the Tertiary dodecyl mercaptan was dissolved. Uses at industrial sites: Tertiary dodecyl mercaptan is used in the following products: polymers and pH regulators and water treatment products. Tertiary dodecyl mercaptan has an industrial use resulting in manufacture of another substance (use of intermediates). Tertiary dodecyl mercaptan is used in the following areas: mining. Tertiary dodecyl mercaptan is used for the manufacture of: chemicals, and rubber products. Release to the environment of Tertiary dodecyl mercaptan can occur from industrial use: as an intermediate step in further manufacturing of another substance (use of intermediates), as processing aid, in processing aids at industrial sites and as processing aid. Tertiary dodecyl mercaptan is used in the following products: polymers and pH regulators and water treatment products. Tertiary dodecyl mercaptan has an industrial use resulting in the manufacture of another substance (use of intermediates). Tertiary dodecyl mercaptan is used in the following fields: mining. Tertiary dodecyl mercaptan is used in the manufacture of chemicals and rubber products. Other Industrial Uses: Intermediaries Lubricants and Oil Additives Process regulators Automotive And Transportation: Oil additive: To produce final components as well as final components to improve lubricant performance in fatty acids and metalworking fluids. Tertiary dodecyl mercaptan is supplied a variety of chemicals used in lubricant intermediates. Poylmers And Rubber Applications: Tertiary dodecyl mercaptan is used as reagents in the synthesis of antioxidants that minimize the unwanted effects of processes such as thickness balancing. Consumer Uses: Plastic and rubber products not covered elsewhere. Features of Tertiary Dodecyl Mercaptan: Optimum composition Safe uses Longer shelf life Experimental Properties of Tertiary Dodecyl Mercaptan: Tertiary dodecyl mercaptan is a colorless to pale yellow viscous liquid. Freezing point -7 ℃, boiling point 227-248 ℃,165-166 ℃(5.19kPa), relative density 0.8450(20/20 ℃), refractive index 1.4589, flash point 90 ℃. Tertiary dodecyl mercaptan is soluble in methanol, ether, acetone, benzene, gasoline and acetate, insoluble in water. Production Method of Tertiary Dodecyl Mercaptan: The dienes obtained by propylene tetropolymerization react with hydrogen sulfide at about 20 ℃ for 2 hours in the presence of aluminum trichloride catalyst. The dosage of hydrogen sulfide is 1.5 times that of dienes according to molar ratio, and the dosage of aluminum trichloride is 2.5% to that of dienes. The reaction product is separated, pickled, washed with hot water, and dried to obtain tert. Hydrogen sulfide in production can occur by the interaction of saturated sodium sulfide solution with 20% sulfuric acid. Raw material consumption quota: crude decene (boiling range 180-208 ℃)1100kg/t, aluminum trichloride 123kg/t, sodium sulfide (60%)1220kg/t, sulfuric acid (92.5%)1270kg/t. Preparation of Tertiary Dodecyl Mercaptan: 12 grams of water and 40 grams of dodecene were introduced into the plant through a funnel. After the factory is sealed, the reaction mixing pump is put into operation (speed: 2800min-1), and then the entire pumping cycle system (including the pump head) manufactured in the jacket design is restored to the initial temperature. The reaction is started by gradually injecting the first 10 bar of carbon dioxide, and then gradually injecting 20 bar of hydrogen sulfide gas to a total pressure of about 30°C. 31 bar. During the experiment, the H2S feed of the reactor system was kept open so that the amount of reacted hydrogen sulfide could be replenished into the reaction system. During the next 2 hours, the mixture was uniformly heated to 60°C. After another 3 hours, all dissolved gas components are removed from the biphasic liquid sample by decompressing at the discharge valve and further heating to 100°C. The composition of the organic liquid phase (upper phase) is analyzed by gas chromatography, and Tertiary dodecyl mercaptan is possible to distinguish the reactants (olefins), the main products (Tertiary dodecyl mercaptan), and the minor components (thioethers). Air & Water Reactions of Tertiary Dodecyl Mercaptan: Tertiary dodecyl mercaptan is sensitive to moisture. Tertiary dodecyl mercaptan is sensitive to prolonged exposure to air. Tertiary dodecyl mercaptan is insoluble in water. Handling and Storage of Tertiary Dodecyl Mercaptan: Handling: Use only in well-ventilated areas to prevent inhalation of vapors. Avoid contact with skin, eyes, and clothing. Always wear protective gloves, clothing, and eyewear. Avoid exposure to heat, sparks, or open flames, as Tertiary dodecyl mercaptan is flammable. Ensure containers are tightly sealed when not in use to avoid leaks or spills. Storage: Store in a cool, dry, well-ventilated area away from incompatible materials, such as oxidizing agents. Keep away from sources of ignition and direct sunlight. Ensure containers are properly labeled and leak-proof. Store in chemically resistant containers to avoid corrosion. Stability and Reactivity of Tertiary Dodecyl Mercaptan: Stability: Tertiary dodecyl mercaptan is stable under normal storage and handling conditions. Tertiary dodecyl mercaptan may decompose when exposed to heat, light, or open flames, producing harmful sulfur oxides (SOx) and other toxic fumes. Reactivity: Reacts with strong oxidizing agents, such as peroxides and acids, potentially causing a fire or explosion. Avoid exposure to high temperatures, as this can increase the risk of decomposition. Tertiary dodecyl mercaptan is incompatible with strong acids and bases. First Aid Measures of Tertiary Dodecyl Mercaptan: Inhalation: Move the affected person to fresh air immediately. If breathing is difficult, provide oxygen and seek medical attention. In case of severe exposure, use artificial respiration if the person is not breathing. Skin Contact: Wash the affected area with plenty of soap and water for at least 15 minutes. Remove contaminated clothing and wash thoroughly before reuse. Seek medical attention if irritation or other symptoms persist. Eye Contact: Immediately flush eyes with plenty of water for at least 15 minutes. Lift eyelids to ensure thorough washing. Seek medical attention if irritation continues. Ingestion: Do not induce vomiting. Rinse the mouth with water, and if conscious, give the person water to drink. Seek medical attention immediately. Firefighting Measures of Tertiary Dodecyl Mercaptan: Suitable Extinguishing Media: Use water spray, dry chemical, foam, or carbon dioxide (CO₂). Specific Hazards: Tertiary dodecyl mercaptan is flammable and can form explosive mixtures with air at high temperatures. During combustion, Tertiary dodecyl mercaptan may release toxic gases, such as sulfur oxides and carbon monoxide. Protective Equipment for Firefighters: Wear self-contained breathing apparatus (SCBA) and full protective gear. Avoid inhalation of vapors or fumes generated during a fire. Accidental Release Measures of Tertiary Dodecyl Mercaptan: Personal Precautions: Wear appropriate personal protective equipment, including gloves, goggles, and respirators. Evacuate unnecessary personnel from the area. Ensure proper ventilation to disperse vapors and avoid inhalation. Environmental Precautions: Prevent the substance from entering drains, sewers, or water sources. If spillage occurs into water bodies, inform relevant authorities immediately. Containment and Cleanup Methods: Absorb spill with inert materials, such as sand or earth. Place the collected material in suitable containers for disposal. Clean the spill area with water and detergent to remove residues. Exposure Controls/Personal Protection of Tertiary Dodecyl Mercaptan: Exposure Limits: Use in areas with good ventilation to minimize vapor exposure. Follow local regulations for exposure limits, though no specific limits may be provided for Tertiary dodecyl mercaptan. Engineering Controls: Ensure adequate exhaust or ventilation systems in confined areas to reduce vapor buildup. Personal Protective Equipment (PPE): Respiratory Protection: Use an appropriate respirator if ventilation is inadequate or exposure limits are exceeded. Skin Protection: Wear protective gloves made from materials resistant to chemicals, such as nitrile or butyl rubber. Eye Protection: Wear chemical-resistant goggles or face shields to prevent eye contact. Body Protection: Wear long-sleeved clothing or chemical-resistant suits, as necessary, to prevent skin exposure. Identifiers of Tertiary Dodecyl Mercaptan: CAS Number: 25103-58-6 EC Number: 246-619-1 Molecular Weight: 202.40 Molecular Formula:C12H26S Product Number: D0971 Purity / Analysis Method: >98.0%(T)
Molecular Formula / Molecular Weight: C12H26S = 202.40
Physical State (20 deg.C): Liquid
CAS RN: 25103-58-6
PubChem Substance ID:87567557
MDL Number: MFCD00043233
PRODUCT: Tertiary dodecyl mercaptan
CAS #: 25103-58-6
FORMULA: C9H19CSH(CH3)2
CLASS: Specialty Chemicals
INDUSTRY: Adhesives, Rubber
Synonym(s): tert-Dodecanethiol
Linear Formula: C12H25SH
CAS Number: 25103-58-6
Molecular Weight: 202.40
Beilstein: 1738382
EC Number: 246-619-1
CAS No.: 25103-58-6
Chemical Name: tert-dodecylthiol
CBNumber: CB7423916
Molecular Formula: C12H26S
Molecular Weight: 202.4
MDL Number: MFCD00043233
MOL File: 25103-58-6.mol
Properties of Tertiary Dodecyl Mercaptan:
Density (20°C): 858 kg/m3
Viscosity (20 °C): 36 mPa.s (cP)
Flash point (closed cup): 97 °C
Vapour pressure (20°C): 0.03 mbar (hPa)
Vapour pressure (50°C): 0.8 mbar (hPa)
Refractive index (20°C): 1.461
Boiling point: 233°C
Melting point < -30°C Decomposition temperature: 350°C Melting point: -7.5°C Boiling point: 227-248 °C (lit.) Density: 0.86 g/mL at 20 °C (lit.) vapor pressure: 1.33 hPa (25.5 °C) refractive index: 1.4486 (estimate) Flash point: 195 °F storage temp.: Store below +30°C. solubility: <0.1g/l form: clear liquid color: Colorless to Almost colorless Viscosity: 3.77mm2/s Water Solubility: <0.1 g/100 mL at 23 ºC BRN: 1738382 InChIKey: CXUHLUIXDGOURI-UHFFFAOYSA-N Appearance: Clear White To Pale Yellow Liquid Boiling Point: 227-248 °C CAS Number: 25103-58-6 Density: 0.86 g/mL EINECS Number: 246-619-1 HS Code: 29309070 IUPAC Name: 2,3,3,4,4,5-Hexamethyl-2-hexanethiol InChI: 1S/C12H26S/c1-9(2)10(3,4)11(5,6)12(7,8)13/h9,13H,1-8H3 InChIKey: YAJYJWXEWKRTPO-UHFFFAOYSA-N Melting Point: -7.5 °C Molar Mass: 202.4 g/mol Molecular Formula: C12H26S RTECS Number: JR3150000 Refractive: 1.454 n/D Solubility: Insoluble Boiling point: 233 °C (1013 hPa) Density: 0.856 g/cm3 (20 °C) Flash point: 98 °C Ignition temperature: 350 °C Melting Point: -45 °C Vapor pressure: 1.33 hPa (25.5 °C) Solubility: <0.1 g/l Molecular Weight: 202.40 XLogP3-AA: 4.8 Hydrogen Bond Donor Count: 1 Hydrogen Bond Acceptor Count: 1 Rotatable Bond Count: 3 Exact Mass: 202.17552200 Monoisotopic Mass: 202.17552200 Topological Polar Surface Area: 1 Ų Heavy Atom Count: 13 Complexity: 176 Isotope Atom Count: 0 Defined Atom Stereocenter Count: 0 Undefined Atom Stereocenter Count: 0 Defined Bond Stereocenter Count: 0 Undefined Bond Stereocenter Count: 0 Covalently-Bonded Unit Count: 1 Compound Is Canonicalized: Yes Specifications of Tertiary Dodecyl Mercaptan: Color: Yellow UN Number: 3082 Formula Weight: 202.40 Physical Form: Clear Liquid at 20°C Percent Purity: ≥98.0% (T) Chemical Name or Material: tert-Dodecyl Mercaptan (mixture of isomers) Names of Tertiary Dodecyl Mercaptan: Regulatory process names: tert-dodecanethiol tert-dodecanethiol CAS names: tert-Dodecanethiol IUPAC names: 2,3,3,4,4,5-hexamethylhexane-2-thiol 2-methylundecane-2-thiol dodecane-1-thiol Dodecyl mercaptan TDM TDM (tert-Dodecyl Mercaptan) tert-Dodecanethiol tert-dodecanethiol Tert-Dodecanethiol tert-Dodecanethiol tert-Dodecanthiol tert-Dodecyl mercaptan tert-Dodecyl Mercaptan (mixture of isomers) Thiol, alkyl C11-C13 Branched, C12 Rich Trade names: TDM (tert-Dodecyl Mercaptan) tert-Dodecanethiol tert-Dodecyl Thiol Other identifiers: 119147-91-0 1971112-70-5 25103-58-6 90501-34-1