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