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822-66-2

Basic Information
CAS No.: 822-66-2
Name: 1-Hydroxy-3-cyclohexene
Article Data: 49
Molecular Structure:
Molecular Structure of 822-66-2 (1-Hydroxy-3-cyclohexene)
Formula: C6H10O
Molecular Weight: 98.1448
Synonyms: 3-Cyclohexen-1-ol,(?à)-;1-Cyclohexen-4-ol;3-Cyclohexenol;4-Hydroxycyclohexene;
Density: 1.014g/cm3
Boiling Point: 164.5 °C at 760 mmHg
Flash Point: 53.4 °C
PSA: 20.23000
LogP: 1.08740
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Specification

The 1-Hydroxy-3-cyclohexene, with cas registry number 822-66-2,  has the systematic name of cyclohex-3-en-1-ol. And it is also named 3-cyclohexen-1-ol.

Physical properties about this chemical are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 3.29; (6)ACD/BCF (pH 7.4): 3.29; (7)ACD/KOC (pH 5.5): 81.57; (8)ACD/KOC (pH 7.4): 81.57; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 28.86 cm3; (15)Molar Volume: 96.7 cm3; (16)Polarizability: 11.44×10-24cm3; (17)Surface Tension: 36.8 dyne/cm; (18)Enthalpy of Vaporization: 46.7 kJ/mol; (19)Vapour Pressure: 0.662 mmHg at 25°C.

Preparation: this chemical can be prepared by cyclohexane-1,4-diol. This reaction will need reagent bromine.

Uses of 1-Hydroxy-3-cyclohexene: it can be used to produce acetic acid cyclohex-3-enyl ester. The yield of this reaction is about 65 % .

You can still convert the following datas into molecular structure: 
(1)SMILES: OC1C/C=C\CC1
(2)InChI: InChI=1/C6H10O/c7-6-4-2-1-3-5-6/h1-2,6-7H,3-5H2
(3)InChIKey: ABZZOPIABWYXSN-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-2,6-7H,3-5H2
(5)Std. InChIKey: ABZZOPIABWYXSN-UHFFFAOYSA-N