CAS No.56922-74-8,TRANS-2-HEXENYL VALERATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	56922-74-8
Name:	TRANS-2-HEXENYL VALERATE

Formula:	C₁₁H₂₀O₂
Molecular Weight:	184.28
Synonyms:	Pentanoicacid, (2E)-2-hexenyl ester (9CI);Pentanoic acid, 2-hexenyl ester, (E)-;trans-2-Hexenyl pentanoate;trans-2-Hexenyl valerate;(2E)-Hex-2-en-1-yl pentanoate;
EINECS:	260-439-0
Density:	0.889 g/cm³
Boiling Point:	236.8 °C at 760 mmHg
Flash Point:	83.1 °C
Solubility:	Insoluble in water
Appearance:	Colorless clear liquid
PSA:	26.30000
LogP:	3.07610

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Specification

The Pentanoic acid,(2E)-2-hexen-1-yl ester, with the CAS registry number 56922-74-8, is also known as Pentanoic acid, 2-hexenyl ester, (E)-. This chemical's molecular formula is C₁₁H₂₀O₂ and molecular weight is 184.28. What's more, its systematic name is (2E)-Hex-2-en-1-yl pentanoate and its EINECS number is 260-439-0.

Physical properties of Pentanoic acid,(2E)-2-hexen-1-yl ester are: (1)ACD/LogP: 4.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.17; (4)ACD/LogD (pH 7.4): 4.17; (5)ACD/BCF (pH 5.5): 875.16; (6)ACD/BCF (pH 7.4): 875.16; (7)ACD/KOC (pH 5.5): 4441.67; (8)ACD/KOC (pH 7.4): 4441.67; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 54.84 cm³; (15)Molar Volume: 207.2 cm³; (16)Polarizability: 21.74×10^-24cm³; (17)Surface Tension: 29.2 dyne/cm; (18)Density: 0.889 g/cm³; (19)Flash Point: 83.1 °C; (20)Enthalpy of Vaporization: 47.36 kJ/mol; (21)Boiling Point: 236.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0464 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC(=O)OCC=CCCC
(2)InChI: InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
(3)InChIKey: WDXAMNXWZLXISB-BQYQJAHWSA-N