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

Name
ISOPULEGYL ACETATE
EINECS 260-820-1
CAS No. 89-49-6
Article Data6
CAS DataBase
Density 0.94g/cm³
Solubility
Melting Point
Formula C₁₂H₂₀O₂
Boiling Point 248 °C at 760 mmHg
Molecular Weight 196.29
Flash Point 85.6 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclohexanol,5-methyl-2-(1-methylethenyl)-, acetate (9CI);p-Menth-8-en-3-ol, acetate (8CI);
PSA 26.30000
LogP 2.93040

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

Product Name

ISOPULEGYL ACETATE

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

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