Pentanoic acid, phenylester supplier

Name
PHENYL VALERATE
EINECS 243-521-0
CAS No. 20115-23-5
Article Data18
CAS DataBase
Density 1.009 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄O₂
Boiling Point 249.5 °C at 760 mmHg
Molecular Weight 178.231
Flash Point 95.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Valericacid, phenyl ester (6CI,7CI,8CI);Phenyl pentanoate;Phenyl valerate;phenyl pentanoate;pentanoic acid, phenyl ester;Valeric acid, phenyl ester;Phenyl valerate;phenyl pentanoate;
PSA 26.30000
LogP 2.78220

Pentanoic acid, phenylester Specification

The Pentanoic acid, phenylester, with the CAS registry number 20115-23-5 and EINECS registry number 243-521-0, has the systematic name and IUPAC name of phenyl pentanoate. And the molecular formula of this chemical is C₁₁H₁₄O₂.

The physical properties of Pentanoic acid, phenylester are as following: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 145.7; (6)ACD/BCF (pH 7.4): 145.7; (7)ACD/KOC (pH 5.5): 1230.9; (8)ACD/KOC (pH 7.4): 1230.9; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 51.49 cm³; (15)Molar Volume: 176.5 cm³; (16)Polarizability: 20.41×10^-24cm³; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 1.009 g/cm³; (19)Flash Point: 95.2 °C; (20)Enthalpy of Vaporization: 48.68 kJ/mol; (21)Boiling Point: 249.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0228 mmHg at 25°C.

Uses of Pentanoic acid, phenylester: It can react with 1-acetoxy-propan-2-one to produce 2-(2-acetoxy-1-hydroxy-1-methyl-ethyl)-pentanoic acid phenyl ester. This reaction will need reagent TiCl₄and Et₃N, and the solvent CH₂Cl₂. The reaction temperature is -78°C, and the yield is about 60%.

Pentanoic acid, phenylester can react with 1-acetoxy-propan-2-one to produce 2-(2-acetoxy-1-hydroxy-1-methyl-ethyl)-pentanoic acid phenyl ester

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccccc1)CCCC
(2)InChI: InChI=1/C11H14O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
(3)InChIKey: MVIMPQVBUPCHEV-UHFFFAOYAU

Product Name

PHENYL VALERATE

Pentanoic acid, phenylester Specification

Related Products

Hot Products