Butanoic acid,3-methyl-, cyclohexyl ester supplier

Name
CYCLOHEXYL ISOVALERATE
EINECS 231-874-3
CAS No. 7774-44-9
Article Data7
CAS DataBase
Density 0.925 g/mL at 25 °C(lit.)
Solubility
Melting Point
Formula C₁₁H₂₀O₂
Boiling Point 223 °C(lit.)
Molecular Weight 184.279
Flash Point 87.2 °C
Transport Information
Appearance colorless clear liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isovalericacid, cyclohexyl ester (6CI,7CI,8CI);Cyclohexyl 3-methylbutanoate;Cyclohexylisovalerate;NSC 147480;cyclohexyl 3-methylbutanoate;
PSA 26.30000
LogP 2.90840

Butanoic acid,3-methyl-, cyclohexyl ester Specification

The Butanoic acid,3-methyl-, cyclohexyl ester, with the CAS registry number 7774-44-9 and EINECS registry number 231-874-3, has the systematic name and IUPAC name of cyclohexyl 3-methylbutanoate. And the molecular formula of the chemical is C₁₁H₂₀O₂.

The characteristics of Butanoic acid,3-methyl-, cyclohexyl ester are as followings: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.449; (8)Molar Refractivity: 52.74 cm³; (9)Molar Volume: 196.3 cm³; (10)Polarizability: 20.9×10^-24cm³; (11)Surface Tension: 30.8 dyne/cm; (12)Density: 0.93 g/cm³; (13)Flash Point: 87.2 °C; (14)Enthalpy of Vaporization: 45.71 kJ/mol; (15)Boiling Point: 220.6 °C at 760 mmHg; (16)Vapour Pressure: 0.112 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC1CCCCC1)CC(C)C
(2)InChI: InChI=1/C11H20O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
(3)InChIKey: SQPOKBBCNZIWFI-UHFFFAOYAP

Product Name

CYCLOHEXYL ISOVALERATE

Butanoic acid,3-methyl-, cyclohexyl ester Specification

Related Products

Hot Products