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3-Acetoxycyclohexene

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Name

3-Acetoxycyclohexene

EINECS N/A
CAS No. 14447-34-8 Density 1.004 g/cm3
PSA 26.30000 LogP 1.65820
Solubility N/A Melting Point N/A
Formula C8H12O2 Boiling Point 174.565 °C at 760 mmHg
Molecular Weight 140.182 Flash Point 49.257 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 14447-34-8 (2-Cyclohexenyl acetate) Hazard Symbols N/A
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;

Article Data 114

3-Acetoxycyclohexene 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

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