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Cas Database |
| Name |
Bornyl acetate |
EINECS | 200-964-4 |
| CAS No. | 76-49-3 | Density | 0.985 |
| PSA | 26.30000 | LogP | 2.76430 |
| Solubility | Slightly soluble in water; Insoluble in glycerin, propylene glycol | Melting Point |
27ºC |
| Formula | C12H20 O2 | Boiling Point | 228-231 ºC |
| Molecular Weight | 196.29 | Flash Point | 192 ºF |
| Transport Information | N/A | Appearance | N/A |
| Safety | Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 76 |
Bornyl acetate Chemical Properties
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
Bornyl acetate Uses
Bornyl acetate (76-49-3) is mainly used in the preparation of peppermint, pineapple, spices and other flavors.
Bornyl acetate Safety Profile
Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
Bornyl acetate 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)- .
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