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Cyclohexanol,5-methyl-2-(1-methylethenyl)-, 1-acetate

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Name

Cyclohexanol,5-methyl-2-(1-methylethenyl)-, 1-acetate

EINECS 260-820-1
CAS No. 89-49-6 Density 0.94g/cm3
PSA 26.30000 LogP 2.93040
Solubility N/A Melting Point N/A
Formula C12H20O2 Boiling Point 248 °C at 760 mmHg
Molecular Weight 196.29 Flash Point 85.6 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 89-49-6 (ISOPULEGYL ACETATE) Hazard Symbols N/A
Synonyms

Cyclohexanol,5-methyl-2-(1-methylethenyl)-, acetate (9CI);p-Menth-8-en-3-ol, acetate (8CI);

Article Data 6

Cyclohexanol,5-methyl-2-(1-methylethenyl)-, 1-acetate Specification

The Cyclohexanol,5-methyl-2-(1-methylethenyl)-, 1-acetate, with CAS registry number 89-49-6, has the systematic name of 5-methyl-2-(prop-1-en-2-yl)cyclohexyl acetate. This chemical is a kind of clear colourless liquid. When use this chemical, avoid contact with skin and eyes. And the chemical formula of this chemical is C12H20O2. This chemical can be used as flavorant and cosmetic spicery.

Physical properties of Cyclohexanol,5-methyl-2-(1-methylethenyl)-, 1-acetate: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.458; (8)Molar Refractivity: 56.89 cm3; (9)Molar Volume: 208.4 cm3; (10)Polarizability: 22.55×10-24cm3; (11)Surface Tension: 29.5 dyne/cm; (12)Density: 0.94 g/cm3; (13)Flash Point: 85.6 °C; (14)Enthalpy of Vaporization: 48.52 kJ/mol; (15)Boiling Point: 248 °C at 760 mmHg; (16)Vapour Pressure: 0.0248 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1C(\C(=C)C)CCC(C1)C)C
(2)InChI: InChI=1/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3
(3)InChIKey: HLHIVJRLODSUCI-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3
(5)Std. InChIKey: HLHIVJRLODSUCI-UHFFFAOYSA-N

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