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Cyclohexanepropanol, alpha,2,2-trimethyl-6-methylene-

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Name

Cyclohexanepropanol, alpha,2,2-trimethyl-6-methylene-

EINECS 237-284-2
CAS No. 13720-13-3 Density 0.89 g/cm3
PSA 42.23000 LogP 2.42190
Solubility N/A Melting Point N/A
Formula C13H24O Boiling Point 264.8 °C at 760 mmHg
Molecular Weight 196.333 Flash Point 94.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13720-13-3 (alpha,2,2-trimethyl-6-methylenecyclohexanepropanol) Hazard Symbols N/A
Synonyms

Dihydro-g-ionol;

Article Data 6

Cyclohexanepropanol, alpha,2,2-trimethyl-6-methylene- 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

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