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| CAS No.: | 76-49-3 |
|---|---|
| Name: | Bornyl acetate |
| Molecular Structure: | |
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| Formula: | C12H20 O2 |
| Molecular Weight: | 196.29 |
| Synonyms: | Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, acetate, (1R,2S,4R)-rel- (9CI);Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, acetate, endo-;Borneol, acetate (6CI,7CI,8CI);(?à)-Bornyl acetate;Borneylacetate;Bornyl acetate;Bornyl acetic ester;Bornyl ethanoate;dl-Bornylacetate;endo-Bornyl acetate; |
| EINECS: | 200-964-4 |
| Density: | 0.985 |
| Melting Point: | 27ºC |
| Boiling Point: | 228-231 ºC |
| Flash Point: | 192 ºF |
| Solubility: | Slightly soluble in water; Insoluble in glycerin, propylene glycol |
| Safety: | Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 26.30000 |
| LogP: | 2.76430 |
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Chemistry
Molecular Formula: C12H20O2
Molar mass: 196.286 g/mol
EINECS: 200-964-4
Density: 1 g/cm3
Flash Point: 84.4 °C
Index of Refraction: 1.48
Boiling Point: 223.5 °C at 760 mmHg
Vapour Pressure: 0.0959 mmHg at 25°C
Appearance: Turpentine oil
Solubility: Soluble in ethanol, ethyl ether, most of the non-volatile oils and volatile oils, slightly soluble in water, insoluble in propylene glycol and glycerin
Product categories of Bornyl acetate (76-49-3): Alphabetical Listings;Flavors and Fragrances
Structure of Bornyl acetate (76-49-3):
XLogP3-AA: 3.3
H-Bond Donor: 0
H-Bond Acceptor: 2
Systematic Name: [(1S,2R,4S)-1,7,7-Trimethylnorbornan-2-yl] acetate
SMILES: O=C(O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C
InChI: InChI=1/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1
InChIKey: KGEKLUUHTZCSIP-HOSYDEDBBJ
Std. InChI: InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1
Std. InChIKey: KGEKLUUHTZCSIP-HOSYDEDBSA-N
Uses
Bornyl acetate (76-49-3) is mainly used in the preparation of peppermint, pineapple, spices and other flavors.
Safety Profile
Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
Specification
Bornyl acetate (76-49-3) also can be called (1S,2R,4S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate ; 2-Thioxo-1,3-thiazolidin-4-one ; Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2R,4S)- ; Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo- and Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S-endo)- .