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13720-13-3

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Basic Information
CAS No.: 13720-13-3
Name: alpha,2,2-trimethyl-6-methylenecyclohexanepropanol
Article Data: 6
Molecular Structure:
Molecular Structure of 13720-13-3 (alpha,2,2-trimethyl-6-methylenecyclohexanepropanol)
Formula: C13H24O
Molecular Weight: 196.333
Synonyms: Dihydro-g-ionol;
EINECS: 237-284-2
Density: 0.89 g/cm3
Boiling Point: 264.8 °C at 760 mmHg
Flash Point: 94.3 °C
PSA: 42.23000
LogP: 2.42190
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  • Cyclohexanepropanol, a,2,2-trimethyl-6-methylene-

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    Cyclohexanepropanol, a,2,2-trimethyl-6-methylene-

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  • alpha,2,2-trimethyl-6-methylenecyclohexanepropanol

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    13720-13-3

    alpha,2,2-trimethyl-6-methylenecyclohexanepropanol

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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Specification

The Cyclohexanepropanol, alpha,2,2-trimethyl-6-methylene- is an organic compound with the formula C13H24O. The IUPAC name of this chemical is 4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-2-ol. With the CAS registry number 13720-13-3, it is also named as α,2,2-trimethyl-6-methylenecyclohexanepropanol.

Physical properties about Cyclohexanepropanol, alpha,2,2-trimethyl-6-methylene- are: (1)ACD/LogP: 4.45; (2)ACD/LogD (pH 5.5): 4.45; (3)ACD/LogD (pH 7.4): 4.45; (4)ACD/BCF (pH 5.5): 1412.96; (5)ACD/BCF (pH 7.4): 1412.96; (6)ACD/KOC (pH 5.5): 6258.38; (7)ACD/KOC (pH 7.4): 6258.38; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.471; (13)Molar Refractivity: 61.22 cm3; (14)Molar Volume: 218.8 cm3; (15)Polarizability: 24.27×10-24cm3; (16)Surface Tension: 30.8 dyne/cm; (17)Density: 0.89 g/cm3; (18)Flash Point: 94.3 °C; (19)Enthalpy of Vaporization: 58.38 kJ/mol; (20)Boiling Point: 264.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00132 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(C)CCC1\C(=C)CCCC1(C)C
(2)InChI: InChI=1/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11-12,14H,1,5-9H2,2-4H3
(3)InChIKey: XYSOCYCFJHMQON-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11-12,14H,1,5-9H2,2-4H3
(5)Std. InChIKey: XYSOCYCFJHMQON-UHFFFAOYSA-N