CAS No.131512-74-8,2-Ethylhexyl 2-cyano-5-phenyl-2,4-pentadienoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	131512-74-8
Name:	2-Ethylhexyl 2-cyano-5-phenyl-2,4-pentadienoate

Formula:	C₂₀H₂₅NO₂
Molecular Weight:	311.42
Synonyms:	2-ETHYLHEXYL ALPHA-CYANO-5-PHENYL-2,4-PENTADIENOATE;2-ETHYLHEXYL--CYANO-5-PHENYL-2,4-PENTADIENOATE;2-Ethylhexyl 2-cyano-5-phenyl-2,4-pentadienoate;2-Ethylhexyl 2-cyano-5-phenylpenta-2,4-dienoate
Density:	1.029 g/cm³
Melting Point:	81-86°C
Boiling Point:	461.321 °C at 760 mmHg
Flash Point:	229.8 °C
Appearance:	Yellow crystalline powder
PSA:	50.09000
LogP:	4.90938

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Specification

The 2-Ethylhexyl 2-cyano-5-phenyl-2,4-pentadienoate with the cas number 131512-74-8 is also called 2,4-Pentadienoic acid,2-cyano-5-phenyl-, 2-ethylhexyl ester. The systematic name is 2-ethylhexyl (2E,4E)-2-cyano-5-phenyl-penta-2,4-dienoate. Its molecular formula is C₂₀H₂₅NO₂. This chemical is yellow crystalline powder.

The properties of the chemical are: (1)ACD/LogP: 6.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.028; (4)ACD/LogD (pH 7.4): 6.028; (5)ACD/BCF (pH 5.5): 22457.172; (6)ACD/BCF (pH 7.4): 22457.172; (7)ACD/KOC (pH 5.5): 45319.566; (8)ACD/KOC (pH 7.4): 45319.566; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 50.09 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 94.651 cm³; (15)Molar Volume: 302.641 cm³; (16)Polarizability: 37.523×10^-24cm³; (17)Surface Tension: 40.119 dyne/cm; (18)Enthalpy of Vaporization: 72.216 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCC(CC)COC(=O)/C(=C/C=C/c1ccccc1)/C#N
(2)InChI: InChI=1/C20H25NO2/c1-3-5-10-17(4-2)16-23-20(22)19(15-21)14-9-13-18-11-7-6-8-12-18/h6-9,11-14,17H,3-5,10,16H2,1-2H3/b13-9+,19-14+
(3)InChIKey: YWZLSHJSUDBZRY-QZTGBSOPBU