2-Heptenyl acetate supplier | CasNO.16939-73-4

Name
ACETIC ACID TRANS-2-HEPTEN-1-YL ESTER
EINECS 241-002-3
CAS No. 16939-73-4
Article Data2
CAS DataBase
Density 0.896g/cm³
Solubility
Melting Point
Formula C₉H₁₆O₂
Boiling Point 195.9 °C at 760 mmHg
Molecular Weight 156.225
Flash Point 73.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Hepten-1-ol, acetate, (2E)-;(E)-2-Heptenyl acetate;[(E)-hept-2-enyl] acetate;(E)-Hept-2-enyl acetate;
PSA 26.30000
LogP 2.29590

2-Heptenyl acetate Specification

The 2-Heptenyl acetate, with CAS registry number 16939-73-4, has the systematic name of (2E)-hept-2-en-1-yl acetate. Besides this, it is also called Acetic acid trans-2-hepten-1-yl ester. And the chemical formula of this chemical is C₉H₁₆O₂. What's more, its EINECS is 241-002-3.

Physical properties of 2-Heptenyl acetate: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.436; (8)Molar Refractivity: 45.57 cm³; (9)Molar Volume: 174.1 cm³; (10)Polarizability: 18.06×10^-24cm³; (11)Surface Tension: 28.4 dyne/cm; (12)Density: 0.896 g/cm³; (13)Flash Point: 73.6 °C; (14)Enthalpy of Vaporization: 43.21 kJ/mol; (15)Boiling Point: 195.9 °C at 760 mmHg; (16)Vapour Pressure: 0.409 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC/C=C/CCCC)C
(2)InChI: InChI=1/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h6-7H,3-5,8H2,1-2H3/b7-6+
(3)InChIKey: AWCPMVVOGVEPRC-VOTSOKGWBQ
(4)Std. InChI: InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h6-7H,3-5,8H2,1-2H3/b7-6+
(5)Std. InChIKey: AWCPMVVOGVEPRC-VOTSOKGWSA-N

Product Name

ACETIC ACID TRANS-2-HEPTEN-1-YL ESTER

2-Heptenyl acetate Specification

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