CAS No.76-49-3,Bornyl acetate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	76-49-3
Name:	Bornyl acetate
Article Data:	76

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)- .