CAPROIC ALCOHOL
CAPROIC ALCOHOL
Caproic alcohol is an organic alcohol with a six-carbon chain and a condensed structural formula of CH3(CH2)5OH.
Caproic alcohol is produced from coconut oil and palm oils.
Caproic alcohol is also used as a solvent in the production of plasticizers.
CAS Number: 111-27-3
EC Number: 203-852-3
Chemical formula: C6H14O
Molar mass: 102.177 g·mol−1
Synonyms: 1-Hexanol, Hexan-1-ol, Hexyl alcohol, 111-27-3, HEXANOL, n-Hexanol, n-Hexyl alcohol, Amylcarbinol, 1-Hexyl alcohol, 1-Hydroxyhexane, Caproyl alcohol, Pentylcarbinol, Caproic alcohol, n-Hexan-1-ol, C6 alcohol, Alcohol(C6), Hexanol (VAN), Fatty alcohol(C6), EPAL 6, Hexyl alcohol (natural), Alcohol C-6, UNII-6CP2QER8GS, NSC 9254, MFCD00002982, Hexanol-(1), 6CP2QER8GS, 25917-35-5, CHEBI:87393, DSSTox_CID_1931, DSSTox_RID_76410, DSSTox_GSID_21931, Caswell No. 482E, Hydroxyhexane, Hexanols, FEMA Number 2567, CAS-111-27-3, HE2, FEMA No. 2567, HSDB 565, EINECS 203-852-3, EPA Pesticide Chemical Code 079047, BRN 0969167, Caproalcohol, Hexalcohol, HEXYL ALCOHOL, ACTIVE, n-hexylalcohol, AI3-08157, N-hexenol, Nat.Hexanol, Exxal 6, EINECS 247-346-0, HEXANOL-CMPD, Exxal 6 (Salt/Mix), BDBM9, 1-Hexanol, 98%, Hexyl alcohol, FCC, FG, EC 203-852-3, n-C6H13OH, SCHEMBL1877, NATURAL HEXYL ALCOHOL, C6H13OH, WLN: Q6, 4-01-00-01694, MLS001055374, UN 2282 (Salt/Mix), BIDD:ER0298, CHEMBL14085, 1-Hexanol, analytical standard, DTXSID8021931, 1-Hexanol, anhydrous, >=99%, NSC9254, 1-Hexanol, reagent grade, 98%, DTXSID001022586, HMS3039L08, BCP29486, NSC-9254, ZINC1699882, Tox21_201335, Tox21_302953, LMFA05000117, STL282713, UN2282, AKOS009031422, HY-W032022, MCULE-4299150163, Alcohol C-6, Natural, Natural Hexanol, 1-Hexanol, purum, >=98.0% (GC), 1-Hexyl alcohol pound>>1-Hexylalcohol, NCGC00090949-01, NCGC00090949-02, NCGC00256385-01, NCGC00258887-01, Hexanols, LS-13216, SMR000677945, 1-Hexanol, SAJ special grade, >=99.0%, 1-Hexanol, Vetec(TM) reagent grade, 98%, CS-0076046, FT-0607887, H0130, Hexyl alcohol, natural, >=98%, FCC, FG, EN300-19338, Q76933, 1-Hexanol, ReagentPlus(R), >=99.5% (GC), J-002549, F0001-0237, Z955123546, 111-27-3, 1-Hexanol, 1-Hexanol, 1-Hexanol, 1-hexyl alcohol, 1-Hydroxyhexane, 203-852-3, 4-01-00-01694, Caproic alcohol, Caproyl alcohol, hexan-1-ol, hexanol, Hexyl alcohol, MFCD00002982, n-Hexan-1-ol, n-hexanol, n-Hexyl alcohol, 1,1-Dideuteriohexan-1-ol, 1-Hexan-d13-ol, 1-hexanol, 1-hexanol, purified, 52598-04-6 , 6-Bromohexan-1-ol, BNG, B-Nonylglucoside, C8E, decane, 1,3,5,7-Tetraazatricyclo(3.3.1.13,7), Epal 6, Exxal 6, Hexalin, Hexane , Hexyl alcohol203-852-3MFCD00002982, Hexylalcohol, n-C6H13OH, 1-Hexanol, Hexan-1-ol, Hexyl alcohol, 111-27-3, HEXANOL, n-Hexanol, n-Hexyl alcohol, Amylcarbinol, 1, Hydroxyhexane, 1-Hexyl alcohol, Caproyl alcohol, Pentylcarbinol, Caproic alcohol, n-Hexan-1-ol, C6 alcohol, Alcohol(C6), Hexanol (VAN), EPAL 6, Hexyl alcohol (natural), FEMA No. 2567, NSC 9254, MFCD00002982, Hexanol-(1), n-Hexyl–d5 Alcohol, 1-Hexanol-13C6, 6CP2QER8GS, 25917-35-5, DTXSID8021931, CHEBI:87393, NSC-9254, Alcohol C-6, DTXCID201931, Caswell No. 482E, Hydroxyhexane, Hexanols, FEMA Number 2567, N-HEXYL-1,1-D2 ALCOHOL, 286013-16-9, 64118-18-9, BHL, CAS-111-27-3, HE2, HSDB 565, EINECS 203-852-3, UNII-6CP2QER8GS, EPA Pesticide Chemical Code 079047, BRN 0969167, Caproalcohol, Hexalcohol, HEXYL ALCOHOL, ACTIVE, n-hexylalcohol, AI3-08157, N-hexenol, N-HEXYL-2,2,3,3,4,4,5,5,6,6,6-D11 ALCOHOL, Exxal 6, EINECS 247-346-0, 2159-18-4, HEXANOL-CMPD, Exxal 6 (Salt/Mix), BDBM9, 1-Hexanol, 98%, Hexyl alcohol, FCC, FG, 1-HEXANOL [HSDB], 1-HEXANOL [MI], EC 203-852-3, n-C6H13OH, SCHEMBL1877, HEXYL ALCOHOL [FCC], C6H13OH, HEXYL ALCOHOL [FHFI], HEXYL ALCOHOL [INCI], WLN: Q6, 4-01-00-01694 (Beilstein Handbook Reference), MLS001055374, UN 2282 (Salt/Mix), BIDD:ER0298, CHEMBL14085, 1-Hexanol, analytical standard, 1-Hexanol, anhydrous, >=99%, NSC9254, 1-Hexanol, reagent grade, 98%, DTXSID001022586, HMS3039L08, BCP29486, Tox21_201335, Tox21_302953, LMFA05000117, UN2282, AKOS009031422, HY-W032022, 1-Hexanol, purum, >=98.0% (GC), 1-Hexyl alcohol pound>>1-Hexylalcohol, NCGC00090949-01, NCGC00090949-02, NCGC00256385-01, NCGC00258887-01, Hexanols [UN2282] [Flammable liquid], LS-13216, PD158361, SMR000677945, 1-Hexanol, SAJ special grade, >=99.0%, 1-Hexanol, Vetec(TM) reagent grade, 98%i CS-0076046i FT-0607887, H0130, Hexyl alcohol, natural, >=98%, FCC, FG, EN300-19338, Q76933, 1-Hexanol, ReagentPlus(R), >=99.5% (GC), J-002549, F0001-0237, Z104473568, InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H
Caproic alcohol is a linear primary alcohol.
Caproic alcohol is formed as an intermediate during the catalytic transformation of cellulose.
The ability of 1,1,3,3-tetramethylguanidine (TMG) in Caproic alcohol solvent system to capture carbon dioxide has been assessed.
The solubility of light fullerenes in Caproic alcohol as a function of temperature and pressure was studied.
Caproic alcohol is produced from coconut oil and palm oils.
Caproic alcohol is used in the production of antiseptics, fragrances and perfumes.
Caproic alcohol is also used as a solvent in the production of plasticizers.
Caproic alcohol is an organic alcohol with a six-carbon chain and a condensed structural formula of CH3(CH2)5OH.
This colorless liquid is slightly soluble in water, but miscible with diethyl ether and ethanol.
Two additional straight chain isomers of 1-Caproic alcohol, 2-Caproic alcohol and 3-Caproic alcohol, exist, both of which differing by the location of the hydroxyl group.
Many isomeric alcohols have the formula C6H13OH.
Caproic alcohol is used in the perfume industry.
Caproic alcohol is used as a precursor to plasticizers, chemical intermediate for pharmaceuticals, perfume esters and antiseptics.
Further, Caproic alcohol serves as a perturbing agent on actomyosin adenosine triphosphatease.
In addition to this, Caproic alcohol is used to modulate the function of actomyosin motor.
Caproic alcohol is an organic alcohol with a six carbon chain and a condensed structural formula of CH3(CH2)5OH.
This colorless liquid is slightly soluble in water, but miscible with ether and ethanol.
Two additional straight chain isomers of 1-Caproic alcohol exist, 2-Caproic alcohol and 3-Caproic alcohol, both of which differ by the location of the hydroxyl group.
Many isomeric alcohols have the formula C6H13OH.
Caproic alcohol is an alcohol extracted from yeast and produced during fermentation of alcoholic beverages.
Caproic alcohols appears as a clear colorless liquid mixture of isomeric six-carbon alcohols with similar chemical properties.
Caproic alcohol is vapors are heavier than air.
Caproic alcohol is used to make pharmaceuticals and as a solvent.
Caproic alcohol is a primary alcohol that is hexane substituted by a hydroxy group at position 1.
Caproic alcohol has a role as a plant metabolite, an antibacterial agent, a fragrance and an alarm pheromone.
Caproic alcohol is a primary alcohol and a Caproic alcohol.
Caproic alcohol is a linear primary alcohol.
Caproic alcohol is formed as an intermediate during the catalytic transformation of cellulose.
The ability of 1,1,3,3-tetramethylguanidine (TMG) in Caproic alcohol solvent system to capture carbon dioxide has been assessed.
The solubility of light fullerenes in Caproic alcohol as a function of temperature and pressure was studied.
Caproic alcohol is produced from coconut oil and palm oils.
Caproic alcohol is used in the production of antiseptics, fragrances and perfumes.
Caproic alcohol is also used as a solvent in the production of plasticizers.
Physical Description of Caproic alcohol:
N-Caproic alcohol appears as a clear colorless liquid.
Flash point 149°F.
Less dense than water and insoluble in water.
Vapors heavier than air.
Preparation of Caproic alcohol:
Caproic alcohol is produced industrially by the oligomerization of ethylene using triethylaluminium followed by oxidation of the alkylaluminium products.
An idealized synthesis is shown:
Al(C2H5)3 + 6C2H4 → Al(C6H13)3
Al(C6H13)3 + 1+1⁄2O2 + 3H2O → 3HOC6H13 + Al(OH)3
The process generates a range of oligomers that are separated by distillation.
Alternative methods:
Another method of preparation entails hydroformylation of 1-pentene followed by hydrogenation of the resulting aldehydes.
This method is practiced in industry to produce mixtures of isomeric C6-alcohols, which are precursors to plasticizers.
In principle, 1-hexene could be converted to Caproic alcohol by hydroboration (diborane in tetrahydrofuran followed by treatment with hydrogen peroxide and sodium hydroxide).
This method is instructive and useful in laboratory synthesis but of no practical relevance because of the commercial availability of inexpensive Caproic alcohol from ethylene.
Occurrence in nature of Caproic alcohol:
Caproic alcohol is believed to be a component of the odour of freshly mown grass.
Alarm pheromones emitted by the Koschevnikov gland of honey bees contain Caproic alcohol.
Caproic alcohol also is partly responsible for the fragrance of strawberries.
Application of Caproic alcohol:
Caproic alcohol has been used as an odorant to study olfactory responses and to thin the dielectric layer of poly(4-vinylphenol) (PVP).
Caproic alcohol is used as a precursor to plasticizers, chemical intermediate for pharmaceuticals, perfume esters and antiseptics.
Further, Caproic alcohol serves as a perturbing agent on actomyosin adenosine triphosphatease.
In addition to this, Caproic alcohol is used to modulate the function of actomyosin motor.
Caproic alcohol has been used as an odorant to study olfactory responsesand to thin the dielectric layer of poly(4-vinylphenol) (PVP).
Uses of Caproic alcohol:
Caproic alcohol is used to produce plasticizers, antiseptics, fragrances, pharmaceuticals, and finishing agents for textile and leather.
Caproic alcohol is used as a flavoring agent and a solvent for fats, waxes, dyes, and paints.
Pharmaceuticals (introduction of hexyl group into hyponics, antiseptics, perfume esters, etc), solvent, plasticizer, intermediate for textile and leather finishing agents.
Synthetic flavoring ingredient,
Cleaning products and household care – air freshener,
Cleaning products and household care – bathroom – bathroom cleaner: Bathtub, tile, and toilet surface cleaners,
Antifoaming,
Flavouring,
Fragrance,
Fragrance component,
Hydrotrope,
Other chemicals (function unknown),
Perfuming,
Solubility enhancer,
Solvent,
Surfactant,
Vehicle – car interior – auto air freshener: Products for masking odors or adding fragrance to car cabin air.
Industry Uses of Caproic alcohol:
Fuels and fuel additives,
Functional fluids (closed systems),
Intermediates,
Lubricants and lubricant additives,
Paint additives and coating additives not described by other categories,
Plasticizers,
Processing aids, not otherwise listed,
Processing aids, specific to petroleum production,
Solids separation agents,
Surface active agents.
Consumer Uses of Caproic alcohol:
Air care products,
Fabric, textile, and leather products not covered elsewhere,
Fuels and related products,
Non-TSCA use,
Personal care products,
Plastic and rubber products not covered elsewhere.
Methods of Manufacturing of Caproic alcohol:
Addition of ethylene to triethylaluminum followed by oxidation of the growth product, hydrolysis, and fractional distillation; from condensation of n-butyraldehyde and acetaldehyde, followed by dehydration and hydrogenation.
Laboratory preparation by action of butylmagnesium bromide on ethylene oxide 1,3-hexadienal with iron wire in presence of nickel acetate.
Industrial preparation by reducing ethyl caproate with sodium in absolute alcohol: Bouveault, Blanc, German patent 164,294 (1903).
Reaction of acetaldehyde and crotonaldehyde followed by hydrogenation
General Manufacturing Information of Caproic alcohol:
Commercial products from the family of 6 to 11 carbon alcohols that make up the plasticizer range are available both as pure single carbon chain materials and as complex isomeric mixtures.
Commercial descriptions of plasticizer range alcohols are in general a pure material is called “-anol” eg, Caproic alcohol, and the mixtures are called “-yl alcohol eg, hexyl alcohol or “iso…yl alcohol” isohexyl alcohol.
Industry Processing Sectors:
All other basic organic chemical manufacturing,
All other chemical product and preparation manufacturing,
Mining (except oil and gas) and support activities,
Oil and gas drilling, extraction, and support activities,
Paint and coating manufacturing,
Petrochemical manufacturing,
Petroleum lubricating oil and grease manufacturing,
Petroleum refineries,
Pharmaceutical and medicine manufacturing,
Plastic material and resin manufacturing,
Primary metal manufacturing,
Textiles, apparel, and leather manufacturing,
Wholesale and retail trade.
Impurities of Caproic alcohol:
Co-products of acetaldehyde-crotonaldehyde reaction to produce Caproic alcohol are 1-decanol and 1-octanol.
The by-product of acetaldehyde-butyraldehyde aldolization /to produce Caproic alcohol/ is 2-ethyl-1-butanol.
Commercial plasticizer Caproic alcohol contains acidity (0.001% as acetic acid), carbonyl (<0.003 wt % oxygen), and 0.05% moisture. Pharmacology and Biochemistry of Caproic alcohol: MeSH Pharmacological Classification: Nicotinic Antagonists: Drugs that bind to nicotinic cholinergic receptors and block the actions of acetylcholine or cholinergic agonists. Nicotinic antagonists block synaptic transmission at autonomic ganglia, the skeletal neuromuscular junction, and at central nervous system nicotinic synapses. Anesthetics: Agents capable of inducing a total or partial loss of sensation, especially tactile sensation and pain. They may act to induce general ANESTHESIA, in which an unconscious state is achieved, or may act locally to induce numbness or lack of sensation at a targeted site. Metabolism/Metabolites of Caproic alcohol: Through successive oxidation processes, Caproic alcohol is converted to hexanoic acid, which then undergoes beta-oxidation. Caproic alcohol has a high affinity for ADH alcohol dehydrogenase, similar to amyl and n-octyl alcohol, and is a potent inhibitor of ethanol oxidation. Caproic alcohol is metabolized by direct conjugation with glucuronic acid and by oxidation to the carboxylic acid and eventually to carbon dioxide. Metabolic studies in rabbits indicate that oxidation to hexanoic acid is the major pathway, mediated by alcohol dehydrogenase and aldehyde dehydrogenase. Direct conjugation with glucuronic acid is a minor pathway. Mechanism of Action of Caproic alcohol: Ethanol and Caproic alcohol were found to have two competing concentration-dependent effects on the Ca(2+)- and phorbol ester- or diacylglycerol-dependent activities of PKCalpha associated with either RhoA or Cdc42, consisting of a potentiation at low alcohol levels and an attenuation of activity at higher levels. Measurements of the Ca(2+), phorbol ester, and diacylglycerol concentration-response curves for Cdc42-induced activation indicated that the activating effect corresponded to a shift in the midpoints of each of the curves to lower activator concentrations, while the attenuating effect corresponded to a decrease in the level of activity induced by maximal activator levels. The presence of ethanol enhanced the interaction of PKCalpha with Cdc42 within a concentration range corresponding to the potentiating effect, whereas the level of binding was unaffected by higher ethanol levels that were found to attenuate activity. Human Metabolite Information of Caproic alcohol: Cellular Locations: Extracellular Membrane Identification of Caproic alcohol: Analytic Laboratory Methods of Caproic alcohol: Volatile material is collected in only 1 ml of methylenechloride containing suitable internal std. Method allows quantitative analysis of total essential oil content & percentage of individual cmpd in less than 4 hr, incl sample prepn, steam distl-extraction & capillary gc. A headspace procedure suitable for gas chromatography assay of volatile substances in biological samples is discussed. Assay range, linearity, & precision are reported for carbopack b material. Industrial Processes with risk of exposure: Painting (Solvents) Handling and Storage of Caproic alcohol: Nonfire Spill Response: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do Caproic alcohol without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. Safe Storage of Caproic alcohol:: Separated from strong oxidants. Storage Conditions of Caproic alcohol: Protect containers against physical damage. Keep containers closed and store in well-ventilated, cool place. First Aid Measures of Caproic alcohol: In case of contact, immediately flush skin and eyes with plenty of water. Wash eyes at least 15 min. and get medical care. Fire Fighting of Caproic alcohol: CAUTION: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam. Do not use dry chemical extinguishers to control fires involving nitromethane (UN1261) or nitroethane (UN2842). LARGE FIRE: Water spray, fog or alcohol-resistant foam. Do not use straight streams. Move containers from fire area if you can do Caproic alcohol without risk. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. Fire Fighting Procedures of Caproic alcohol: Use carbon dioxide, dry chemical or "alcohol" foam extinguisher. Water is ineffective to fire fighting, but is effective to keep fire-exposed containers cool. If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, carbon dioxide or dry chemical. Keep run off water out of sewers and water sources. Accidental Release Measures of Caproic alcohol: Isolation and Evacuation of Caproic alcohol: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions. Also, consider initial evacuation for 800 meters (1/2 mile) in all directions. Spillage Disposal of Caproic alcohol: Personal protection: Filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in covered containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Cleanup Methods of Caproic alcohol: Absorb on paper. Evaporate on a glass or iron dish in hood. Burn the paper. AEROBIC: 5-Day theoretical BODs of 28%(1), 53% (initial concn of 100 ppm)(2) and 83.6% (initial concn of 2,000 ppm)(3) were observed for Caproic alcohol in aerobic screening tests using a sewage inocula. An aerobic biodegradation rate constant of 7.99X10-2 1/hr(4), which corresponds to a half-life of 0.36 days(SRC), was determined in an aerobic screening test at pH 7 and 25 °C using an activated sludge inocula. In a similar screening test, the rate constant was measured to be 1.7X10-2 1/hr(5), which corresponds to a biodegradation half-life of 1.7 days(SRC). ANAEROBIC: Anaerobic biodegradation studies show Caproic alcohol degradation rates of 75%(1) and 83%(2) in 7 days at 37 °C using a synthetic sewage inocula. Disposal Methods of Caproic alcohol: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for Caproic alcohol approved use or return Caproic alcohol to the manufacturer or supplier. Ultimate disposal of the chemical must consider: The material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations. Spray into the furnace. Incineration will become easier by mixing with a more flammable solvent. Preventive Measures of Caproic alcohol: If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors. Personnel protection: Avoid breathing vapors. Keep upwind. Avoid bodily contact with the material. Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. If contact with the material anticipated, wear appropriate chemical protective clothing. Identifiers of Caproic alcohol: CAS Number: 111-27-3 Beilstein Reference: 969167 ChEBI: CHEBI:87393 ChEMBL: ChEMBL14085 ChemSpider: 7812 ECHA InfoCard: 100.003.503 EC Number: 203-852-3 MeSH: 1-Hexanol PubChem CID: 8103 RTECS number: MQ4025000 UNII: 6CP2QER8GS UN number: 2282 CompTox Dashboard (EPA): DTXSID8021931 InChI: InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 Key: ZSIAUFGUXNUGDI-UHFFFAOYSA-N SMILES: CCCCCCO Synonym(s): Hexyl alcohol Linear Formula: CH3(CH2)5OH CAS Number: 111-27-3 Molecular Weight: 102.17 Beilstein: 969167 EC Number: 203-852-3 MDL number: MFCD00002982 PubChem Substance ID: 57650899 NACRES: NA.21 CAS number: 111-27-3 EC index number: 603-059-00-6 EC number: 203-852-3 Hill Formula: C₆H₁₄O Molar Mass: 102.18 g/mol HS Code: 2905 19 00 Quality Level: MQ200 Properties of Caproic alcohol: Chemical formula: C6H14O Molar mass: 102.177 g·mol−1 Appearance: colorless liquid Density: 0.82 g cm−3 (at 20 °C) Melting point: −45 °C (−49 °F; 228 K) Boiling point: 157 °C (315 °F; 430 K) Solubility in water: 5.9 g/L (at 20 °C) log P: 1.858 Vapor pressure: 100 Pa (at 25.6 °C) Refractive index (nD): 1.4178 (at 20 °C) Density: 0.82 g/cm3 (20 °C) Explosion limit: 1.2 - 7.7 %(V) Flash point: 60 °C Ignition temperature: 285 °C Vapor pressure: 3.64 hPa (38 °C) Viscosity kinematic: 3.64 mm2/s (40 °C) Solubility: 1.3 g/l Molecular Weight: 102.17 XLogP3: 2 Hydrogen Bond Donor Count: 1 Hydrogen Bond Acceptor Count: 1 Rotatable Bond Count: 4 Exact Mass: 102.104465066 Monoisotopic Mass: 102.104465066 Topological Polar Surface Area: 20.2 Ų Heavy Atom Count: 7 Complexity: 27.4 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 Grade: anhydrous Quality Level: 100 Vapor density: 4.5 (vs air) Vapor pressure: 1 mmHg ( 25.6 °C) Assay: ≥99% Form: liquid Autoignition temp.: 559 °F Expl. lim.: 0.34-6.3 % Impurities: <0.005% water Evapn. residue: <0.0005% Refractive index: n20/D 1.418 (lit.) bp: 156-157 °C (lit.) mp: −52 °C (lit.) Density: 0.814 g/mL at 25 °C (lit.) SMILES string: CCCCCCO InChI: 1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 InChI key: ZSIAUFGUXNUGDI-UHFFFAOYSA-N Specifications of Caproic alcohol: Assay (GC, area%): ≥ 98 % Density (d 20 °C/ 4 °C): 0.818 - 0.819 Identity (IR): passes test Thermochemistry of Caproic alcohol: Heat capacity (C): 243.2 J K−1 mol−1 Std molar entropy (So298): 287.4 J K−1 mol−1 Std enthalpy of formation (ΔfH⦵298): −377.5 kJ mol−1 Std enthalpy of combustion (ΔcH⦵298): −3.98437 MJ mol−1 Names of Caproic alcohol: Preferred IUPAC name: Hexan-1-ol Other names: amyl carbinol