Pentyl cinnamate supplier | CasNO.3487-99-8

Name
Pentyl cinnamate
EINECS 222-478-1
CAS No. 3487-99-8
Article Data3
CAS DataBase
Density 1.008 g/cm3
Solubility
Melting Point 310-314 °C
Formula C₁₄H₁₈O₂
Boiling Point 318.9oC at 760 mmHg
Molecular Weight 218.296
Flash Point 171.5oC
Transport Information
Appearance colorless to pale yellow clear liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cinnamicacid, pentyl ester (6CI,7CI,8CI);Amyl cinnamate;NSC 46140;
PSA 26.30000
LogP 3.43320

Pentyl cinnamate Specification

The Pentyl cinnamate with the CAS number 3487-99-8 is also called 2-Propenoic acid,3-phenyl-, pentyl ester. The IUPAC name is pentyl (Z)-3-phenylprop-2-enoate. Its molecular formula is C₁₄H₁₈O₂. The EINECS registry number is 222-478-1. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the Pentyl cinnamate are: (1)ACD/LogP: 4.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.3; (4)ACD/LogD (pH 7.4): 4.3; (5)ACD/BCF (pH 5.5): 1095.28; (6)ACD/BCF (pH 7.4): 1095.28; (7)ACD/KOC (pH 5.5): 5215.45; (8)ACD/KOC (pH 7.4): 5215.45; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 67.08 cm³; (15)Molar Volume: 216.4 cm³; (16)Polarizability: 26.59 10^-24cm³; (17)Surface Tension: 37 dyne/cm; (18)Enthalpy of Vaporization: 56.04 kJ/mol; (19)Vapour Pressure: 0.000352 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCC)\C=C/c1ccccc1
(2)InChI: InChI=1/C14H18O2/c1-2-3-7-12-16-14(15)11-10-13-8-5-4-6-9-13/h4-6,8-11H,2-3,7,12H2,1H3/b11-10-
(3)InChIKey: QDRJCWZGTMRXCL-KHPPLWFEBL

Product Name

Pentyl cinnamate

Pentyl cinnamate Specification

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