5-Phenylpentanoic acid methyl ester supplier

Name
5-PHENYL-N-VALERIC ACID METHYL ESTER
EINECS
CAS No. 20620-59-1
Article Data35
CAS DataBase
Density 1.002 g/cm³
Solubility
Melting Point
Formula C1₂H₁₆O₂
Boiling Point 271.1 °C at 760 mmHg
Molecular Weight 192.258
Flash Point 110.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenevaleric acid methyl ester;
PSA 26.30000
LogP 2.57240

5-Phenylpentanoic acid methyl ester Specification

The 5-Phenylpentanoic acid methyl ester, with the CAS registry number of 20620-59-1, is also known as Benzenevaleric acid methyl ester. This chemical's molecular formula is C1₂H₁₆O₂ and molecular weight is 192.25. What's more, its IUPAC name is Methyl 5-phenylpentanoate.

Physical properties about the 5-Phenylpentanoic acid methyl ester are: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.496; (8)Molar Refractivity: 56.1 cm³; (9)Molar Volume: 191.7 cm³; (10)Surface Tension: 35.3 dyne/cm; (11) Density: 1.002 g/cm³; (12)Flash Point: 110.6 °C; (13)Enthalpy of Vaporization: 50.93 kJ/mol; (14)Boiling Point: 271.1 °C at 760 mmHg; (15)Vapour Pressure: 0.00659 mmHg at 25 °C.

Preparation: this chemical is prepared by 5-Phenyl-valeric acid. The yield is about 51 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 5-(4-Acetyl-phenyl)-pentanoic acid methyl ester. This reaction needs reagent AlCl₃. The reaction time is 30 minutes. The yield is about 30 %.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(OC)CCCCc1ccccc1
(2) InChI:InChI=1/C12H16O2/c1-14-12(13)10-6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
(3) InChIKey:BNNWLDUOVGYRLY-UHFFFAOYAH

Product Name

5-PHENYL-N-VALERIC ACID METHYL ESTER

5-Phenylpentanoic acid methyl ester Specification

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