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3720-17-0

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Basic Information
CAS No.: 3720-17-0
Name: 3-Methyl-5-hexyl-2-cyclohexen-1-one
Molecular Structure:
Molecular Structure of 3720-17-0 (3-Methyl-5-hexyl-2-cyclohexen-1-one)
Formula: C13H22 O
Molecular Weight: 194.317
Synonyms: 3-Methyl-5-Hexyl-2-Cyclohexen-1-One
Density: 0.892 g/cm3
Boiling Point: 286.2oC at 760mmHg
Flash Point: 123.5oC
PSA: 17.07000
LogP: 3.88220
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Chemistry

Molecule structure of 3-Methyl-5-hexyl-2-cyclohexen-1-one (CAS NO.3720-17-0):

Molecular Formula: C13H22O
Molecular Weight: 194.31 g/mol
CAS Registry Number: 3720-17-0 
Index of Refraction: 1.462
Molar Refractivity: 59.96 cm3
Molar Volume: 217.8 cm3
Polarizability: 23.77×10-24 cm3
Surface Tension: 29.6 dyne/cm
Density: 0.892 g/cm3
Flash Point: 123.5 °C
Enthalpy of Vaporization: 52.52 kJ/mol
Boiling Point: 286.2 °C at 760 mmHg
Vapour Pressure: 0.00268 mmHg at 25 °C 
SMILES: CCCCCCC1CC(=CC(=O)C1)C
InChI: InChI=1/C13H22O/c1-3-4-5-6-7-12-8-11(2)9-13(14)10-12/h9,12H,3-8,10H2,1-2H3
InChIKey: ZIUUAIVSQOVUNK-UHFFFAOYAL
Std. InChI: InChI=1S/C13H22O/c1-3-4-5-6-7-12-8-11(2)9-13(14)10-12/h9,12H,3-8,10H2,1-2H3 
Std. InChIKey of 3-Methyl-5-hexyl-2-cyclohexen-1-one (CAS NO.3720-17-0): ZIUUAIVSQOVUNK-UHFFFAOYSA-N 

Specification

 3-Methyl-5-hexyl-2-cyclohexen-1-one (CAS NO.3720-17-0) is also named as 2-cyclohexen-1-one, 5-hexyl-3-methyl- .