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CAS No.: | 25905-14-0 |
---|---|
Name: | ACETIC ACID LAVANDULYL ESTER |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C12H20O2 |
Molecular Weight: | 196.29 |
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; |
EINECS: | 247-327-7 |
Density: | 0.897 g/cm3 |
Boiling Point: | 228.7 °C at 760 mmHg |
Flash Point: | 70.5 °C |
Safety: | 23-24/25 |
PSA: | 26.30000 |
LogP: | 3.24060 |
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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