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| CAS No.: | 14447-34-8 |
|---|---|
| Name: | 2-Cyclohexenyl acetate |
| Article Data: | 114 |
| Molecular Structure: | |
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| Formula: | C8H12O2 |
| Molecular Weight: | 140.182 |
| Synonyms: | 2-Cyclohexen-1-ol,acetate (6CI,7CI,8CI,9CI);(?à)-2-Cyclohexen-1-yl acetate;(?à)-2-Cyclohexenyl acetate;1-Acetoxy-2-cyclohexene;2-Cyclohexen-1-ylacetate;2-Cyclohexenol acetate;2-Cyclohexenyl acetate;3-Acetoxy-1-cyclohexene;3-Acetoxycyclohexene;6-Acetoxy-1-cyclohexene;Aceticacid 2-cyclohexenyl ester; |
| Density: | 1.004 g/cm3 |
| Boiling Point: | 174.565 °C at 760 mmHg |
| Flash Point: | 49.257 °C |
| PSA: | 26.30000 |
| LogP: | 1.65820 |
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Specification
The 3-Acetoxycyclohexene, with the CAS registry number 14447-34-8, has the systematic name of cyclohex-2-en-1-yl acetate. And the molecular formula of the chemical is C8H12O2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 257; (8)ACD/KOC (pH 7.4): 257; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 38.784 cm3; (15)Molar Volume: 139.605 cm3; (16)Polarizability: 15.375×10-24cm3; (17)Surface Tension: 31.948 dyne/cm; (18)Density: 1.004 g/cm3; (19)Flash Point: 49.257 °C; (20)Enthalpy of Vaporization: 41.09 kJ/mol; (21)Boiling Point: 174.565 °C at 760 mmHg; (22)Vapour Pressure: 1.199 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC1\C=C/CCC1)C
(2)InChI: InChI=1/C8H12O2/c1-7(9)10-8-5-3-2-4-6-8/h3,5,8H,2,4,6H2,1H3
(3)InChIKey: MQNAWGURFBPDMW-UHFFFAOYAV