4-Hexen-1-ol,5-methyl-2-(1-methylethenyl)-, 1-acetate supplier

Name
ACETIC ACID LAVANDULYL ESTER
EINECS 247-327-7
CAS No. 25905-14-0
Article Data14
CAS DataBase
Density 0.897 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₀O₂
Boiling Point 228.7 °C at 760 mmHg
Molecular Weight 196.29
Flash Point 70.5 °C
Transport Information
Appearance
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Hexen-1-ol,2-isopropenyl-5-methyl-, acetate (8CI);4-Hexen-1-ol,5-methyl-2-(1-methylethenyl)-, acetate (9CI);(?à)-Lavandulol acetate;(?à)-Lavandulyl acetate;3-Acetoxymethyl-2,6-dimethyl-1,5-heptadiene;
PSA 26.30000
LogP 3.24060

4-Hexen-1-ol,5-methyl-2-(1-methylethenyl)-, 1-acetate Specification

The 4-Hexen-1-ol,5-methyl-2-(1-methylethenyl)-, 1-acetate is an organic compound with the formula C₁₂H₂₀O₂. The systematic name of this chemical is 5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl acetate. With the CAS registry number 25905-14-0, it is also named as 2-Isopropenyl-5-methyl-4-hexen-1-yl acetate.

Physical properties about 4-Hexen-1-ol,5-methyl-2-(1-methylethenyl)-, 1-acetate are: (1)ACD/LogP: 3.61; (2)ACD/LogD (pH 5.5): 3.61; (3)ACD/LogD (pH 7.4): 3.61; (4)ACD/BCF (pH 5.5): 327.9; (5)ACD/BCF (pH 7.4): 327.9; (6)ACD/KOC (pH 5.5): 2199.75; (7)ACD/KOC (pH 7.4): 2199.75; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.45; (12)Molar Refractivity: 58.84 cm³; (13)Molar Volume: 218.7 cm³; (14)Polarizability: 23.32×10^-24cm³; (15)Surface Tension: 27.3 dyne/cm; (16)Density: 0.897 g/cm³; (17)Flash Point: 70.5 °C; (18)Enthalpy of Vaporization: 46.53 kJ/mol; (19)Boiling Point: 228.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0724 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(\C(=C)C)C/C=C(/C)C)C
(2)InChI: InChI=1/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3
(3)InChIKey: HYNGAVZPWWXQIU-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3
(5)Std. InChIKey: HYNGAVZPWWXQIU-UHFFFAOYSA-N

Product Name

ACETIC ACID LAVANDULYL ESTER

4-Hexen-1-ol,5-methyl-2-(1-methylethenyl)-, 1-acetate Specification

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