BORNYL ACETATE
BORNYL ACETATE
Bornyl acetate is a naturally occurring organic compound with a pleasant, woody aroma, found in various essential oils, especially in coniferous trees like pine, fir, and cedar, as well as in herbs like rosemary and sage.
Bornyl acetate is widely used in the fragrance and cosmetic industries to add depth and complexity to perfumes, colognes, lotions, and soaps, contributing to fresh, earthy, and slightly floral scents.
Beyond its aromatic appeal, Bornyl acetate also has potential therapeutic benefits, including its ability to promote relaxation and reduce stress when used in aromatherapy.
CAS Number: 5413-60-5
EC Number: 219-700-4
Molecular Formula: C12H16O2
Molecular Weight: 192.25 g/mol
Synonyms: Bornyl acetate, 4,7-Methanoinden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate, Dihydro-nordicyclopentadienyl acetate, Tricyclodecen-4-yl 8-acetate, 3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-6-yl acetate, 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-, 5-acetate, 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-yl acetate, 4,7-Methanoinden-5-ol, 3a,4,5,6,7,7a-hexahydro-, acetate, Tricyclo(5.2.1.02,6)dec-3-en-9-yl acetate, Tricyclodecenyl acetate, Tricyclo(5.2.1.02,6)dec-4-en-8-yl acetate, tricyclodecenyl acetate, dihydrodicyclopentadiene acetate, Hexahydro-4,7-methanoinden-5(6)-yl acetate, 3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-6-yl acetate, 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-acetate, 4,7-Methano-1H-inden-6-ol,3a,4,5,6,7,7a-hexahydro-,6-acetate, 4,7-Methanoinden-6-ol,3a,4,5,6,7,7a-hexahydro-,acetate, 4,7-Methano-1H-inden-6-ol,3a,4,5,6,7,7a-hexahydro-,acetate, Bornyl acetate, 4,7-Methano-3a,4,5,6,7,7a-hexahydroinden-6-yl acetate, Herbaflorat, NSC 6598, Greenyl acetate, 8-Acetoxytricyclo[5.2.1.02,6]dec-3-ene, Jasmacyclene, 3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-6-yl acetate, Bornyl acetate, 5413-60-5, Jasmacyclen, 3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl acetate, Tricyclodecenyl acetate, Tricyclodecen-4-yl 8-acetate, 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate, Greenyl acetate, Dihydro-nordicyclopentadienyl acetate, 3a,4,5,6,7,7a-Hexahydro-4,7-methanoinden-6-yl acetate, 5232EN3X2F, NSC-6598, MFCD00135806, 4,7-Methanoinden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate, 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-acetate, Herbaflorat, NSC 6598; Herbaflorat; Greenyl acetate, NSC 6598, EINECS 226-501-6, JASMACYCLENE, BRN 1949487, AI3-20146, SCHEMBL114981, UNII-5232EN3X2F, DTXSID4029270, NSC6598, Dihydro-nor-dicyclopentadienyl acetate, AKOS027276455, BS-42422, SY316742, J217.985G, NS00003520, 8-acetoxytricyclo[5,2,1,0 2,6]dec-3-ene, 8-tricyclo[5.2.1.02,6]dec-3-enyl acetate, E76501, EC 226-501-6, 8-ACETOXYTRICYCLO(5.2.1.02,6)DEC-3-ENE, W-105670, Q10878625, 3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-ylacetate, ACETIC ACID TRICYCLE(5.2.1.0(SUP 2,6))DECA-3-ENE-8-YL ESTER, 3A,4,5,6,7,7A-HEXAHYDRO-1H-4,7-METHANOINDEN-6-YL ACETATE, 4,7-METHANO-1H-INDEN-6-OL, 3A,4,5,6,7,7A-HEXAHYDRO-, 6-ACETATE, 4,7-METHANO-1H-INDEN-6-OL, 3A,4,5,6,7,7A-HEXAHYDRO-, ACETATE, 8-ACETOXYTRICYCLO(5.2.1.02,6)DEC-3-ENE, ACETIC ACID TRICYCLE(5.2.1.0(SUP 2,6))DECA-3-ENE-8-YL ESTER, GREENYL ACETATE, J217.985G, JASMACYCLENE, NSC-6598, Bornyl acetate, DIHYDRO-DICYCLOPENTADIENYL ACETATE, 4,7-Methano-1H-Inden-6-ol, 3a,4,5,6,7,7a-Hexahydro-, Acetate, Dihydro-Nordicyclopentadienyl Acetate, Tricyclodecen-4-yl 8-Acetate, Tricyclodecenyl Acetate (IFRA)
Bornyl acetate is a naturally occurring organic compound classified as a bicyclic monoterpene ester.
Bornyl acetate is the acetate ester of borneol and is widely recognized for its pleasant, woody, and pine-like aroma.
Bornyl acetate is found in various essential oils, particularly in coniferous trees such as pine, fir, and spruce, as well as in certain herbs like rosemary and camphor.
Due to Bornyl acetate’s distinctive fragrance and therapeutic properties, bornyl acetate is commonly used in the fragrance and flavoring industries, where it contributes to fresh, forest-like scents and flavors.
Bornyl acetate also plays a significant role in traditional medicine and aromatherapy, where it is valued for its calming, anti-inflammatory, and analgesic effects.
Research suggests that bornyl acetate exhibits biological activities, including antimicrobial, antioxidant, and anti-tumor properties, making it a subject of interest in pharmacological studies.
Additionally, Bornyl acetate serves as a key ingredient in perfumes, cosmetics, and cleaning products, enhancing their sensory appeal.
Bornyl acetate is also used in some insect repellents and air fresheners due to its natural, refreshing aroma.
In industrial applications, Bornyl acetate may be utilized as an intermediate in the synthesis of other chemical compounds.
Overall, bornyl acetate is a versatile natural ester with a wide range of uses, from enhancing fragrances to contributing to medicinal and therapeutic benefits.
Bornyl acetate is a colorless to pale yellow liquid known for its distinctive woody and green scent.
Bornyl acetate is commonly used in the fragrance industry to create perfumes and scented personal care products like lotions and soaps.
With a chemical formula of C14H24O2, Bornyl acetate provides a fresh, slightly balsamic note that adds depth and complexity to aromatic formulations.
Bornyl acetate is valued for its stability and versatility, making it a popular choice among perfumers and cosmetic manufacturers.
Bornyl acetate is a light-floral green soapy compound.
Bornyl acetate is a clear to straw yellow liquid and is not present in nature.
Bornyl acetate is synthetic.
Bornyl acetate has a strong and lasting delicate fragrance and is used in flavor essences such as modulation lavandula angustifolia, the banksia rose, fragrance are strange, chypre, and for makeup.
Bornyl acetate is a naturally occurring organic compound with a pleasant, woody aroma.
Bornyl acetate is found in various essential oils, most notably in the oils of coniferous trees like pine, fir, and cedar, as well as in some herbs like rosemary and sage.
This ester is prized for its aromatic properties and is a common ingredient in perfumery and fragrance industries.
Bornyl acetate’s fragrance profile is characterized by its fresh, earthy, and slightly floral notes, making it a popular choice for adding depth and complexity to perfumes, colognes, and scented products.
Beyond Bornyl acetate’s olfactory appeal, Bornyl acetate also boasts potential therapeutic benefits, including its purported ability to promote relaxation and reduce stress when used in aromatherapy.
Bornyl acetate continues to be an essential component in the world of fragrance and aromatics, captivating our senses with its delightful scent.
Bornyl acetate is a fragrance.
Bornyl acetate is widely used in alcoholic lotions, antiperspirant, deo-stick, detergent perborate, hard surface cleaner, shampoo and soap.
The shelf life of Bornyl acetate is 24 months
Bornyl acetate is a naturally occurring organic compound with a pleasant, woody aroma.
Bornyl acetate is found in various essential oils, most notably in the oils of coniferous trees like pine, fir, and cedar, as well as in some herbs like rosemary and sage.
This ester is prized for Bornyl acetate’s aromatic properties and is a common ingredient in perfumery and fragrance industries.
Bornyl acetate’s fragrance profile is characterized by its fresh, earthy, and slightly floral notes, making it a popular choice for adding depth and complexity to perfumes, colognes, and scented products.
Beyond Bornyl acetate’s olfactory appeal, Bornyl acetate also boasts potential therapeutic benefits, including its purported ability to promote relaxation and reduce stress when used in aromatherapy.
Bornyl acetate, continues to be an essential component in the world of fragrance and aromatics, captivating our senses with its delightful scent.
Bornyl acetate is a natural product found in Solanum lycopersicum with data available.
Bornyl acetate is cycloBornyl acetate jasmacyclene .
Bornyl acetate is light-floral green soapy.
Bornyl acetate is the ester that conforms to the formula: C12H16O2.
Bornyl acetate is a synthetic aromatic chemical.
Bornyl acetate has a shelf life of 24 months.
Uses of Bornyl acetate:
Bornyl acetate is widely used across various industries due to its pleasant, woody, and camphor-like aroma, as well as its therapeutic properties.
In the fragrance and cosmetic industries, Bornyl acetate is a key ingredient in perfumes, colognes, soaps, and skincare products, where it imparts a fresh, forest-like scent.
Bornyl acetate is also used in air fresheners, cleaning products, and insect repellents to create a natural and refreshing atmosphere.
In the food and beverage industry, bornyl acetate serves as a flavoring agent, adding subtle pine and herbal notes to certain products.
Medicinally, Bornyl acetate plays a significant role in traditional and alternative medicine, where it is used for its anti-inflammatory, analgesic, and sedative properties, making it beneficial in pain relief, relaxation therapies, and respiratory treatments.
Bornyl acetate is commonly found in essential oils such as pine, fir, and rosemary, which are used in aromatherapy to promote relaxation and mental clarity.
Additionally, bornyl acetate has demonstrated antimicrobial and antioxidant activities, making it a potential candidate for pharmaceutical and therapeutic applications.
In industrial settings, Bornyl acetate is sometimes used as a chemical intermediate in the synthesis of other compounds.
Overall, bornyl acetate is a versatile compound with applications ranging from fragrance and flavoring to health and wellness.
Bornyl acetate has a strong and lasting delicate fragrance and is used in flavor essences such as modulation lavandula angustifolia, the banksia rose, fragrance are strange, chypre, and for makeup .
Bornyl acetate is used fine fragrances, beauty care, hair care, laundry Care.
Bornyl acetate is an excellent modifier & provides floral accords an attractive green fruity volume with a sweet anise and wood background.
Bornyl acetate is used for perfuming soaps, detergents and air freshners.
Benefits and Uses:
Perfumery:
Bornyl acetate, with its woody and floral notes, is an essential component in high-end perfumes, providing a lasting and captivating fragrance.
Aromatherapy:
In aromatherapy, Bornyl acetate is utilized to create calming essential oil blends that promote relaxation and reduce stress.
Flavorings:
Bornyl acetate adds a subtle piney flavor to certain food and beverage products, enhancing their taste profiles.
Cosmetics:
Bornyl acetate is used in cosmetics such as lotions and creams to imbue them with a pleasant, nature-inspired scent, enhancing the user’s sensory experience.
Cleaning Products:
Bornyl acetate’s fresh and clean aroma makes Bornyl acetate a popular choice for adding fragrance to various household cleaning items, leaving spaces smelling rejuvenated.
Pharmaceuticals:
In some pharmaceutical preparations, Bornyl acetate is incorporated for both its fragrance and its potential calming effects, contributing to a more pleasant medication experience.
Industry Uses:
Odor agents
Fragrance
Consumer Uses:
Processing aids not otherwise specified
Odor agents
Fragrance
Molecular Structure of Bornyl acetate:
The molecular formula of Bornyl acetate is C12H16O2.
The IUPAC name of Bornyl acetate is 8-tricyclo [5.2.1.0 2,6 ]dec-3-enyl acetate.
The molecular weight of Bornyl acetate is 192.25 g/mol.
Physical And Chemical Properties of Bornyl acetate:
Bornyl acetate is a clear to straw yellow liquid.
Bornyl acetate is insoluble in water but soluble in alcohol.
Bornyl acetate is stable under normal conditions.
Synthesis of Bornyl acetate:
The synthetic method of Bornyl acetate involves a long production reaction scheme, which is considered dangerous and not suitable for industrial production due to its low synthetic yield.
A detailed synthetic method can be found in a patent.
General Manufacturing Information of Bornyl acetate:
Industry Processing Sectors:
Miscellaneous Manufacturing
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Other (requires additional information)
All Other Basic Organic Chemical Manufacturing
Wholesale and Retail Trade
Manufacturing Process of Bornyl acetate:
The extensive Bornyl acetate production cost report consists of the major industrial manufacturing process(es):
From Acetic Acid and Perchloric-Phosphoric acid:
The production process of Bornyl acetate begins with the chemical reaction between acetic acid and perchloric-phosphoric acid, yielding a mixture.
Bornyl acetate is then treated by the slow addition of acetic anhydride and dicyclopentadiene, which is then washed by using sodium hydroxide, sodium sulfite, and saturated salt followed by fractional distillation to yield Bornyl acetate at the end.
Bornyl acetate is produced through chemical synthesis.
The high chloride-phosphoric acid and acetic acid are added together in specific quantities.
After that, at a temperature of about 580C, acetic anhydride is added to the mixture, followed by the addition of dicyclopentadiene.
A temperature of 50-800C is maintained.
Further through vacuum fractionation, the products are washed by NaOH.
Hence, Bornyl acetate is obtained.
Bornyl acetate is a clear and colourless liquid.
The chemical formula of Bornyl acetate is C12H16O2.
The specific gravity of Bornyl acetate at 25 °C is 1.07 to 1.09.
The flash point of Bornyl acetate is 111°C.
Bornyl acetate is insoluble in water but is miscible in alcohol.
The molecular weight of Bornyl acetate is 192.25 g/mol.
Handling And Storage of Bornyl acetate:
Conditions for safe storage, including any incompatibilities:
Storage:
Keep in tightly closed container in a cool and dry place, protected from light.
When stored for more than 24 months, quality should be checked before use.
Storage conditions:
Tightly closed.
Dry.
Stability And Reactivity of Bornyl acetate:
Reactivity:
No data available
Chemical stability:
Bornyl acetate is chemically stable under standard ambient conditions (room temperature) .
Conditions to avoid:
no information available
Incompatible materials:
No data available
First Aid Measures of Bornyl acetate:
General advice:
Show this material safety data sheet to the doctor in attendance.
If inhaled:
After inhalation:
Fresh air.
In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with water/ shower.
In case of eye contact:
After eye contact:
Rinse out with plenty of water.
Call in ophthalmologist.
Remove contact lenses.
If swallowed:
After swallowing:
Immediately make victim drink water (two glasses at most).
Consult a physician.
Indication of any immediate medical attention and special treatment needed:
No data available
Fire Fighting Measures of Bornyl acetate:
Suitable extinguishing media:
Use extinguishing measures that are appropriate to local circumstances and the surrounding environment.
Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
Further information:
Suppress (knock down) gases/vapors/mists with a water spray jet.
Prevent fire extinguishing water from contaminating surface water or the ground water system
Accidental Release Measures of Bornyl acetate:
Environmental precautions:
Do not let product enter drains.
Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.
Observe possible material restrictions.
Take up dry. Dispose of properly.
Clean up affected area.
Exposure Controls/Personal Protection of Bornyl acetate:
Personal protective equipment:
Eye/face protection:
Use equipment for eye protection.
Safety glasses
Skin protection:
Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Splash contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Body Protection:
protective clothing
Respiratory protection:
Recommended Filter type: Filter type P2
Control of environmental exposure:
Do not let product enter drains.
Identifiers of Bornyl acetate:
Molecular Formula: C12H16O2
DSSTOX Substance ID: DTXSID4029270
Molecular Weight: 192.25 g/mol
Physical Description: Liquid; Liquid, Other Solid
Product Name: Bornyl acetate
CAS RN: 5413-60-5
Product Name: 4,7-Methano-3a,4,5,6,7,7a-hexahydroinden-6-yl acetate
CAS No.: 5413-60-5
Molecular Formula: C12H16O2
InChIKey: RGVQNSFGUOIKFF-UHFFFAOYSA-N
Molecular Weight: 192.25 g/mol
Exact Mass: 192.25
EC Number: 226-501-6
UNII: 5232EN3X2F
NSC Number: 6598
DSSTox ID: DTXSID4029270
Molecular Weight: 192.25
Appearance: A colorless viscous liquid.
Boiling point: 288.25°C (rough estimate)
Density: 1.0240 (rough estimate)
Storage temp: Sealed in dry, Room Temperature
Water Solubility: 10μg/L at 30℃
Chemical Name: 3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANOINDEN-6-YL ACETATE
Chemical Formula: C12 H16 O2
Family: Floral
CAS N°: 5413-60-5
EINECS N°: 226-501-6
FEMA N°: –
Properties of Bornyl acetate:
Molecular Weight: 192.25 g/mol
XLogP3-AA: 2.2
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 2
Exact Mass: 192.115029749 g/mol
Monoisotopic Mass: 192.115029749 g/mol
Topological Polar Surface Area: 26.3 Ų
Heavy Atom Count: 14
Complexity: 295
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 5
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
Beilstein Number: 1949487
MDL: MFCD00135806
XlogP3-AA: 2.20 (est)
Molecular Weight: 192.25792000
Formula: C12 H16 O2
AL number: 3046
CAS number: To be assigned
CAS number (unlabelled): 5413-60-5
Molecular Formula: C12H16O2
Molecular Weight: 194.24
Assay: 95% min.
Appearance: colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00 sum of isomers
Flash Point: > 100°C
Refractive Index ND20: [1.492 – 1.498]
Specific Gravity (D20/20): [1.072 – 1.082]
Purity: > 98% (SUM OF ISOMERS)
Molecular Weight: 192
Chemical Formula: C12H16O2
CAS Number: 5413-60-5
Color: Clear Colorless Liquid
Shelf Life: 12 months
Form: Liquid
IUPAC Name: 8-tricyclo[5.2.1.02,6]dec-3-enyl acetate
InChI: InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3
InChI Key: RGVQNSFGUOIKFF-UHFFFAOYSA-N
Canonical SMILES: CC(=O)OC1CC2CC1C3C2C=CC3
Specifications of Bornyl acetate:
APPEARANCE AT 20°C: Clear moible liquid
COLOR: Colorless to pale yellow
ODOR: Fruit,green,wood,anise,floral,ozone
OPTICAL ROTATION (°): -0,5 / 0,5
DENSITY AT 20°C (G/ML)): 1,068 – 1,078
REFRACTIVE INDEX ND20: 1,4930 – 1,4970
FLASHPOINT (°C): 116
SOLUBILITY: Soluble in ethanol 96º
ASSAY (% GC): Sum of isomers > 98
ACID VALUE (MG KOH/G): < 1