Hexanoic acid,(2E)-2-hexen-1-yl ester supplier

Name
TRANS-2-HEXENYL HEXANOATE
EINECS 258-519-5
CAS No. 53398-86-0
Article Data2
CAS DataBase
Density 0.886 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₂O₂
Boiling Point 256 °C at 760 mmHg
Molecular Weight 198.305
Flash Point 86.5 °C
Transport Information
Appearance colorless liquid
Safety
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Hexanoicacid, (2E)-2-hexenyl ester (9CI);Hexanoic acid, 2-hexenyl ester, (E)-;(E)-2-Hexenyl hexanoate;trans-2-Hexenyl hexanoate;
PSA 26.30000
LogP 3.46620

Hexanoic acid,(2E)-2-hexen-1-yl ester Specification

The Hexanoic acid,(2E)-2-hexen-1-yl ester, with CAS registry number 53398-86-0, has the systematic name of hex-2-enyl hexanoate. Besides this, it is also called Trans-2-hexenyl hexanoate. And the chemical fomula of this chemical is C₁₂H₂₂O₂. Its molecular weight is 198.3. What's more, its EINECS is 258-519-5.

Physical properties of Hexanoic acid,(2E)-2-hexen-1-yl ester: (1)ACD/LogP: 4.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.71; (4)ACD/LogD (pH 7.4): 4.71; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 9; (8)Polar Surface Area: 26.3 Å²; (9)Index of Refraction: 1.444; (10)Molar Refractivity: 59.47 cm³; (11)Molar Volume: 223.7 cm³; (12)Polarizability: 23.57×10^-24cm³; (13)Surface Tension: 29.5 dyne/cm; (14)Density: 0.886 g/cm³; (15)Flash Point: 86.5 °C; (16)Enthalpy of Vaporization: 49.35 kJ/mol; (17)Boiling Point: 256 °C at 760 mmHg; (18)Vapour Pressure: 0.0158 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCC=CCOC(=O)CCCCC
(2)InChI: InChI=1/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3
(3)InChIKey: UQPLEMTXCSYMEK-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3
(5)Std. InChIKey: UQPLEMTXCSYMEK-UHFFFAOYSA-N

Product Name

TRANS-2-HEXENYL HEXANOATE

Hexanoic acid,(2E)-2-hexen-1-yl ester Specification

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