Basic information
- CAS
76-49-3- Standard SMILES
CC(=O)OC1CC2CCC1(C)C2(C)C- InChIKey
KGEKLUUHTZCSIP-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Overview
Bornyl acetate is an organic molecular entity. It has a role as a flavouring agent and a fragrance.
Names & identifiers
- Preferred name
- Acetic acid 1,7,7-trimethyl-bicyclo(2.2.1)hept-2-yl ester
- IUPAC
- (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate
- English name
- Bornyl acetate
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
92618-89-8Acetic acid 1,7,7-trimethyl-bicyclo(2.2.1)hept-2-yl esterAcetic acid 1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl esterRefChem:315843BORNYL ACETATE1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetateBorneol, acetateBornyl acetic ether2-Camphanol acetate1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetateD,L-Isobornyl Acetateendo-2-Camphanyl ethanoate
Show more names
bornylFEMA 2159bornyl aceateBorneylacetate1-BORNYLACETATEBornylethanoateBorneol,acetatedl-Bornylacetate
(1,7,7-trimethylnorbornan-2-yl) acetatebicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetateendo-bornyl acetate(1S,2S,4S)-1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL ACETATEMFCD00867808NSC-407158L-Borneol acetateNCGC00159354-02
Database identifiers
- CAS
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
FragrancesFragrance Ingredient (Bornyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Physicochemical properties
- Melting point
- 27 · 27–29 °C
- Boiling point
- 223 · 223–224 °C
- alpha
- -41 · -41 º (neat)
- Density
- 0.985 g/mL · 0.985 g/mL at 25 °C(lit.)
- FEMA
- 2159 · 2159 | BORNYL ACETATE
- refractive index
- 20 · n20/D 1.4635(lit.)
- FLAVIS Number
- 9.017 · 09.017 | DL-Bornyl acetate
- Flash point
- 192 °F · 192 °F
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 25 mg/mL; · DMF: 25mg/mL; DMF:PBS (pH 7.2) (1:3): 0.25mg/mL; DMSO: 2mg/mL; Ethanol: 15mg/mL
- form
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 1
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
OccurrenceReported found in the oils of Abies canadensis, A. concolor, Picea canadensis, P. rubens, P. orientalis, Pinus densiflora, Larix americana, Callitris drum-mondi, Abies alba, Pinus punulio, Abies sibirica L., and in coriander, thyme and valerian oil; it has been identified in the essence from flowers of Chrysanthemum sincuse Sabin, in the distillate of Teucrium chamaedris L., and in the fresh rhizomes of Valeriana officinalis L.; d-bornyl acetate is found in the essential oils of Callitris glauca, C. robusta, C. gracilis, C. verrucosa and C. calcarata; the presence of acetate has been excluded from the essence of lavender and lavandin.
UsesAntineoplastic; radioactive agent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…