Benzenemethanol, a-3-cyclohexen-1-yl- supplier

Name
1-cyclohex-3-enyl-phenyl-methanol
EINECS
CAS No. 831-13-0
Article Data2
CAS DataBase
Density 1.067 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆O
Boiling Point 297.2 °C at 760 mmHg
Molecular Weight 188.269
Flash Point 125.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Cyclohexene-1-methanol,a-phenyl- (7CI,8CI);NSC 49155;C₁₃H₁₆O;
PSA 20.23000
LogP 3.07630

Benzenemethanol, a-3-cyclohexen-1-yl- Specification

The Benzenemethanol, a-3-cyclohexen-1-yl-, with the CAS registry number 831-13-0, has the systematic name and IUPAC name of cyclohex-3-en-1-yl(phenyl)methanol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₃H₁₆O.

The characteristics of Benzenemethanol, a-3-cyclohexen-1-yl- are as followings: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 9.23 Å²; (7)Index of Refraction: 1.571; (8)Molar Refractivity: 57.97 cm³; (9)Molar Volume: 176.3 cm³; (10)Polarizability: 22.98×10^-24cm³; (11)Surface Tension: 45.5 dyne/cm; (12)Density: 1.067 g/cm³; (13)Flash Point: 125.3 °C; (14)Enthalpy of Vaporization: 56.71 kJ/mol; (15)Boiling Point: 297.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000618 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(c1ccccc1)C2C/C=C\CC2
(2)InChI: InChI=1/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-5,7-8,12-14H,6,9-10H2
(3)InChIKey: JDRIHMPNNKBFBP-UHFFFAOYAK

Product Name

1-cyclohex-3-enyl-phenyl-methanol

Benzenemethanol, a-3-cyclohexen-1-yl- Specification

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