Octanoic acid,2-phenylethyl ester supplier

Name
FEMA 3222
EINECS 226-718-6
CAS No. 5457-70-5
Article Data8
CAS DataBase
Density 0.963g/cm³
Solubility
Melting Point
Formula C₁₆H₂₄O₂
Boiling Point 337.2 °C at 760 mmHg
Molecular Weight 248.365
Flash Point 114.6 °C
Transport Information
Appearance Colourless oily liquid; mild fruity wine-like odour
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Octanoicacid, phenethyl ester (7CI,8CI);2-Phenethyl octanoate;2-Phenylethyloctanoate;NSC 23950;Phenethyl octanoate;Phenylethyl caprylate;b-Phenylethyl octanoate;
PSA 26.30000
LogP 4.13280

Octanoic acid,2-phenylethyl ester Specification

The Octanoic acid,2-phenylethyl ester, with CAS registry number 5457-70-5, has the systematic name of 2-phenylethyl octanoate. Besides this, it is also called 2-Phenylethyl caprylate. And the chemical formula of this chemical is C₁₆H₂₄O₂. What's more, its EINECS is 226-718-6.

Physical properties of Octanoic acid,2-phenylethyl ester: (1)ACD/LogP: 5.49; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.49; (8)Molar Refractivity: 74.63 cm³; (9)Molar Volume: 257.7 cm³; (10)Polarizability: 29.58×10^-24cm³; (11)Surface Tension: 34.9 dyne/cm; (12)Density: 0.963 g/cm³; (13)Flash Point: 114.6 °C; (14)Enthalpy of Vaporization: 58.04 kJ/mol; (15)Boiling Point: 337.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000107 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCc1ccccc1)CCCCCCC
(2)InChI: InChI=1/C16H24O2/c1-2-3-4-5-9-12-16(17)18-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3
(3)InChIKey: ASETYIALRXDVDF-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C16H24O2/c1-2-3-4-5-9-12-16(17)18-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3
(5)Std. InChIKey: ASETYIALRXDVDF-UHFFFAOYSA-N

Product Name

FEMA 3222

Octanoic acid,2-phenylethyl ester Specification

Related Products

Hot Products