Basic information
- CAS
5655-61-8- Standard SMILES
CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C- InChIKey
KGEKLUUHTZCSIP-HOSYDEDBSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Overview
bornyl acetate has been reported in Artemisia thuscula, Curcuma xanthorrhiza, and other organisms with data available.
Names & identifiers
- Preferred name
- Bornyl acetate, (-)-
- IUPAC
- [(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
- English name
- L-BORNYL ACETATE
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
(-)-Bornyl acetate5655-61-8L-bornyl acetate(-)-Borneol acetateLevo-bornyl acetateBornyl acetate, (-)-Borneol, acetate, (1S,2R,4S)-(-)-UNII-24QAP1VCUX24QAP1VCUXBORNYL ACETATE, L-BORNYL ACETATE L-FORMBORNEOL, L-, ACETATE
Show more names
Bornyl Acetate (contains ca. 20% Isobornyl Acetate)FEMA 2159L-BORNEOL ACETATE()-Bornyl acetateBornyl Acetate Levo-bornyl acetateL-born-2-yl acetateLAEVO-BORNYLACETATE
1S-ENDO-BORNYL ACETATEFEMA NO. 4080EINECS 227-101-4Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2R,4S)-BORNEOL ACETATE, (-)-EC 227-101-4Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S-endo)-(1S)-1,7,7-TRIMETHYLBICYCLO(2.2.1)-2-HEPTANOL ACETATE
Database identifiers
- CAS
5655-61-8、76-49-3- PubChem CID
- 93009
- DTXSID
DTXSID3052228
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 269
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesDielectric constant
Fragrances
Fragrance Ingredient (Bornyl acetate) -> IFRA transparency List
Fragrance Ingredient (laevo-Bornyl acetate) -> IFRA transparency List
Food Additives
FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.981-0.985
0.981-0.987
Flavoring Agents
EU Flavoring substances
EU Flavoring substances
Solubility
Slightly soluble in water; Insoluble in glycerin, propylene glycol
Soluble (in ethanol)
Practically insoluble to insoluble in water
Soluble (in ethanol)
Boiling Point
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (1557 of 1557) of all reports.
Not Classified
Aggregated GHS information provided per 1557 reports by companies from 1 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (302 of 302) of all reports.
Not Classified
Aggregated GHS information provided per 302 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo-
Chemical: Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S-endo)-
Regulation (EC) No 1831/2003 (amended)
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: L-born-2-yl acetate (EC: 227-101-4)
Bicyclo2.2.1heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2R,4S)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummarySafe when used as a flavoring agent in food; [EFSA] An irritant; [Good Scents MSDS] See Borneol.
Hazard Classes and Categories
Not Classified
Not Classified
Safety data
Chemistry & industry
Uses & manufacturing
UsesNaturally occurring bornyl acetate--occurs in the essential oils of some plants; Used in fragrances and flavors; [Merck Index] Used as a flavoring agent; [FDA]
Household Products
Information on 1 consumer products that contain Bornyl acetate [USAN] in the following categories is provided:
Information on 1 consumer products that contain L-Bornyl Acetate in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel-: ACTIVE
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1S,2R,4S)-: ACTIVE
Applications
OccurrenceReported found in carrot, coriander, spike lavender, pine needle, rosemary, sage and valerian root.
UsesSuggested for use in Fougeres, Chypres, Lavender colognes, Room spray fragrances, Bathoils, Pine fragrances, etc. lts odor is richer than that of the iso-Bomyl acetate. Finds some use in flavor compositions for Fruit and Spice flavorings. The concentration will usuallybe about 70-80 ppm in the finished product.
Uses()-Bornyl acetate can be used:As a key intermediate in the preparation of camphor.To prepare ()-englerin A, an anti-cancer agent.
General DescriptionProduced and qualified by HWI pharma services GmbH.Exact content by quantitative NMR can be found on the certificate.
Preparation methods
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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