Benzenebutanoic acid, a-phenyl-, ethyl ester supplier

Name
Ethyl-2,4-diphenylbutanoate
EINECS
CAS No. 53608-81-4
Article Data3
CAS DataBase
Density 1.059 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₀O₂
Boiling Point 376.3 °C at 760 mmHg
Molecular Weight 268.3502
Flash Point 136.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butyricacid, 2,4-diphenyl-, ethyl ester (7CI);NSC 82226;Ethyl-2,4-diphenylbutanoate;
PSA 26.30000
LogP 3.96610

Benzenebutanoic acid, a-phenyl-, ethyl ester Specification

The CAS register number of Benzenebutanoic acid, a-phenyl-, ethyl ester is 53608-81-4. The systematic name about this chemical is ethyl 2,4-diphenylbutanoate. The molecular formula about this chemical is C₁₈H₂₀O₂ and the molecular weight is 268.3502.

Physical properties about Benzenebutanoic acid, a-phenyl-, ethyl ester are: (1)ACD/LogP: 4.86; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 26.3 Å²; (5)Index of Refraction: 1.549; (6)Molar Refractivity: 80.59 cm³; (7)Molar Volume: 253.2 cm³; (8)Polarizability: 31.95x10^-24cm³; (9)Surface Tension: 40.4 dyne/cm; (10)Density: 1.059 g/cm³; (11)Flash Point: 136.2 °C; (12)Enthalpy of Vaporization: 62.39 kJ/mol; (13)Boiling Point: 376.3 °C at 760 mmHg; (14)Vapour Pressure: 7.33E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(c1ccccc1)CCc2ccccc2
(2)InChI: InChI=1/C18H20O2/c1-2-20-18(19)17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3
(3)InChIKey: SJMGLWKVOOIJRS-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C18H20O2/c1-2-20-18(19)17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3
(5)Std. InChIKey: SJMGLWKVOOIJRS-UHFFFAOYSA-N

Product Name

Ethyl-2,4-diphenylbutanoate

Benzenebutanoic acid, a-phenyl-, ethyl ester Specification

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