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2-BORNYL ETHANOATE

2-Bornyl ethanoate is a naturally occurring organic compound with a pleasant, woody aroma, 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.
2-Bornyl ethanoate is prized for its aromatic properties and is a common ingredient in perfumery and fragrance industries, characterized by its fresh, earthy, and slightly floral notes.
Beyond its olfactory appeal, 2-Bornyl ethanoate also boasts potential therapeutic benefits, including its purported 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)

2-Bornyl ethanoate is a colorless to pale yellow liquid known for its distinctive woody and green scent.
2-Bornyl ethanoate 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, 2-Bornyl ethanoate provides a fresh, slightly balsamic note that adds depth and complexity to aromatic formulations.
2-Bornyl ethanoate is valued for its stability and versatility, making it a popular choice among perfumers and cosmetic manufacturers.

2-Bornyl ethanoate is a light-floral green soapy compound.
2-Bornyl ethanoate is a clear to straw yellow liquid and is not present in nature.

2-Bornyl ethanoate is synthetic.
2-Bornyl ethanoate 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.

2-Bornyl ethanoate is a naturally occurring organic compound with a pleasant, woody aroma.
2-Bornyl ethanoate 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.

2-Bornyl ethanoate'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 2-Bornyl ethanoate's olfactory appeal, 2-Bornyl ethanoate also boasts potential therapeutic benefits, including its purported ability to promote relaxation and reduce stress when used in aromatherapy.
2-Bornyl ethanoate continues to be an essential component in the world of fragrance and aromatics, captivating our senses with its delightful scent.

2-Bornyl ethanoate is a fragrance.
2-Bornyl ethanoate is widely used in alcoholic lotions, antiperspirant, deo-stick, detergent perborate, hard surface cleaner, shampoo and soap.
The shelf life of 2-Bornyl ethanoate is 24 months

This ester is prized for 2-Bornyl ethanoate's aromatic properties and is a common ingredient in perfumery and fragrance industries.
2-Bornyl ethanoate'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 2-Bornyl ethanoate's olfactory appeal, 2-Bornyl ethanoate also boasts potential therapeutic benefits, including its purported ability to promote relaxation and reduce stress when used in aromatherapy.
2-Bornyl ethanoate, continues to be an essential component in the world of fragrance and aromatics, captivating our senses with its delightful scent.

2-Bornyl ethanoate is a natural product found in Solanum lycopersicum with data available.
2-Bornyl ethanoate is cyclo2-Bornyl ethanoate jasmacyclene .

2-Bornyl ethanoate is light-floral green soapy.
2-Bornyl ethanoate is the ester that conforms to the formula: C12H16O2.

2-Bornyl ethanoate is a synthetic aromatic chemical.
2-Bornyl ethanoate has a shelf life of 24 months.

Uses of 2-Bornyl Ethanoate:
2-Bornyl ethanoate 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 .
2-Bornyl ethanoate is used fine fragrances, beauty care, hair care, laundry Care.

2-Bornyl ethanoate is an excellent modifier & provides floral accords an attractive green fruity volume with a sweet anise and wood background.
2-Bornyl ethanoate is used for perfuming soaps, detergents and air freshners.

Benefits and Uses:

Perfumery:
2-Bornyl ethanoate, with its woody and floral notes, is an essential component in high-end perfumes, providing a lasting and captivating fragrance.

Aromatherapy:
In aromatherapy, 2-Bornyl ethanoate is utilized to create calming essential oil blends that promote relaxation and reduce stress.

Flavorings:
2-Bornyl ethanoate adds a subtle piney flavor to certain food and beverage products, enhancing their taste profiles.

Cosmetics:
2-Bornyl ethanoate 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:
2-Bornyl ethanoate's fresh and clean aroma makes 2-Bornyl ethanoate a popular choice for adding fragrance to various household cleaning items, leaving spaces smelling rejuvenated.

Pharmaceuticals:
In some pharmaceutical preparations, 2-Bornyl ethanoate 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 2-Bornyl Ethanoate:
The molecular formula of 2-Bornyl ethanoate is C12H16O2.
The IUPAC name of 2-Bornyl ethanoate is 8-tricyclo [5.2.1.0 2,6 ]dec-3-enyl acetate.
The molecular weight of 2-Bornyl ethanoate is 192.25 g/mol.

Physical And Chemical Properties of 2-Bornyl Ethanoate:
2-Bornyl ethanoate is a clear to straw yellow liquid.
2-Bornyl ethanoate is insoluble in water but soluble in alcohol.
2-Bornyl ethanoate is stable under normal conditions.

Synthesis of 2-Bornyl Ethanoate:
The synthetic method of 2-Bornyl ethanoate 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 2-Bornyl Ethanoate:

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 2-Bornyl Ethanoate:
The extensive 2-Bornyl ethanoate production cost report consists of the major industrial manufacturing process(es):

From Acetic Acid and Perchloric-Phosphoric acid:
The production process of 2-Bornyl ethanoate begins with the chemical reaction between acetic acid and perchloric-phosphoric acid, yielding a mixture.
2-Bornyl ethanoate 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 2-Bornyl ethanoate at the end.

2-Bornyl ethanoate 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, 2-Bornyl ethanoate is obtained.

2-Bornyl ethanoate is a clear and colourless liquid.
The chemical formula of 2-Bornyl ethanoate is C12H16O2.

The specific gravity of 2-Bornyl ethanoate at 25 °C is 1.07 to 1.09.
The flash point of 2-Bornyl ethanoate is 111°C.

2-Bornyl ethanoate is insoluble in water but is miscible in alcohol.
The molecular weight of 2-Bornyl ethanoate is 192.25 g/mol.

Handling And Storage of 2-Bornyl Ethanoate:

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 2-Bornyl Ethanoate:

Reactivity:
No data available

Chemical stability:
2-Bornyl ethanoate is chemically stable under standard ambient conditions (room temperature) .

Conditions to avoid:
no information available

Incompatible materials:
No data available

First Aid Measures of 2-Bornyl Ethanoate:

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 2-Bornyl Ethanoate:

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 2-Bornyl Ethanoate:

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 2-Bornyl Ethanoate:

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 2-Bornyl Ethanoate:
Molecular Formula: C12H16O2
DSSTOX Substance ID: DTXSID4029270
Molecular Weight: 192.25 g/mol
Physical Description: Liquid; Liquid, Other Solid
Product Name: 2-Bornyl ethanoate
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 2-Bornyl Ethanoate:
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 Å²
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 2-Bornyl Ethanoate:
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