Methyl 4-hydroxycyclohexanecarboxylate supplier

Name
METHYL 4-HYDROXYCYCLOHEXANECARBOXYLATE
EINECS 241-464-6
CAS No. 17449-76-2
Article Data35
CAS DataBase
Density 1.121 g/cm³
Solubility
Melting Point
Formula C₈H₁₄O₃
Boiling Point 233.285 °C at 760 mmHg
Molecular Weight 158.197
Flash Point 93.457 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Hydroxycyclohexanecarboxylicacid methyl ester;Cyclohexanecarboxylic acid, 4-hydroxy-, methyl ester;
PSA 46.53000
LogP 0.71050

Methyl 4-hydroxycyclohexanecarboxylate Specification

The Cyclohexanecarboxylicacid, 4-hydroxy-, methyl ester, with the CAS registry number 17449-76-2 and EINECS registry number 241-464-6, has the systematic name of methyl 4-hydroxycyclohexanecarboxylate. It belongs to the following product categories: Pharmacetical; Esters; Ring Systems. And the molecular formula of the chemical is C₈H₁₄O₃.

The characteristics of Cyclohexanecarboxylicacid, 4-hydroxy-, methyl ester are as followings: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 1.49; (6)ACD/BCF (pH 7.4): 1.49; (7)ACD/KOC (pH 5.5): 46.3; (8)ACD/KOC (pH 7.4): 46.3; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 40.21 cm³; (15)Molar Volume: 141 cm³; (16)Polarizability: 15.94×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.121 g/cm³; (19)Flash Point: 93.5 °C; (20)Enthalpy of Vaporization: 54.63 kJ/mol; (21)Boiling Point: 233.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0105 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)C1CCC(O)CC1
(2)InChI: InChI=1/C8H14O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6-7,9H,2-5H2,1H3
(3)InChIKey: HYDYVXROZHFTGB-UHFFFAOYAP

Product Name

METHYL 4-HYDROXYCYCLOHEXANECARBOXYLATE

Methyl 4-hydroxycyclohexanecarboxylate Specification

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