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Basic Information
CAS No.: 97-42-7
Name: (-)-CARVYL ACETATE
Molecular Structure:
Molecular Structure of 97-42-7 ((-)-CARVYL ACETATE)
Formula: C12H18 O2
Molecular Weight: 194.274
Synonyms: 2-Cyclohexen-1-ol,2-methyl-5-(1-methylethenyl)-, acetate (9CI);p-Mentha-6,8-dien-2-ol, acetate(6CI,7CI,8CI);Carveol acetate;Carveyl acetate;Carvyl acetate;(-)-CARVYL ACETATE;
EINECS: 202-580-2
Density: 0.972 g/mL at 20 °C(lit.)
Boiling Point: 77-79 °C0.1 mm Hg(lit.)
Flash Point: 208 °F
Safety: A skin irritant. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.
PSA: 26.30000
LogP: 2.85050
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Chemistry

Molecular Structure of 1-Carvyl acetate (CAS NO.97-42-7):


IUPAC: (5-Isopropenyl-2-methyl-1-cyclohex-2-enyl) acetate
Molecular Formula:C12H18O2
Molecular Weight:194.27
Density:0.972 g/mL at 20oC(lit.)
FEMA:2250
Flash Point:208oF
Boiling Point:77-79oC0.1 mm Hg(lit.)
Refractive index:n20/D 1.475(lit.)
SMILES:O=C(OC1\C(=C/CC(\C(=C)C)C1)C)C 
InChI:InChI=1/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3 
InChIKey:YTHRBOFHFYZBRJ-UHFFFAOYAE 
Molar Volume:201 cm3
Surface Tension:30.3 dyne/cm
Molar Refractivity:56.59 cm3
Enthalpy of Vaporization:54.03 kJ/mol
Vapour Pressure:0.00114 mmHg at 25oC

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

     FCTXAV    Food and Cosmetics Toxicology. 16 (1978),637.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

A skin irritant. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.
Safty informations about 1-Carvyl acetate (CAS NO.97-42-7):
Safety Statements:24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany:2
RTECS:OS8500000

Specification

 1-Carvyl acetate with cas registry number of 97-42-7 is also known as (-)-Carvylacetate,mixtureofisomers ; 1-P-mentha-6(8,9)-dien-2-ylacetate ; 2-Cyclohexen-1-ol,2-methyl-5-(1-methylethenyl)-, acetate ; 2-Cyclohexen-1-ol,2-methyl-5-(1-methylethenyl)-,acetate ; 2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-oacetate ; 5-Isopropenyl-2-methyl-2-cyclohexen-1-yl acetate ; Carveylacetate ; P-Mentha-6,8-dien-2-ol, acetate . 1-Carvyl acetate is a compound with the appearance of clear colorless to slightly yellow liquid. It has a characteristic odor reminiscent of spearmint. 1-Carvyl acetate is prepared by boiling Carveol with Acetic anhydride and Sodium acctate. It also can be found in strawberry fruit,celery leaves and stalks. 1-Carvyl acetate is used as a flavoring ingredient in foods.