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38836-21-4

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Basic Information
CAS No.: 38836-21-4
Name: 4-Hydroxy-5-methyl-2-hexanone
Article Data: 55
Molecular Structure:
Molecular Structure of 38836-21-4 (4-Hydroxy-5-methyl-2-hexanone)
Formula: C7H14O2
Molecular Weight: 130.187
Synonyms: 2-hexanone, 4-hydroxy-5-methyl-;4-Hydroxy-5-methylhexan-2-one;
Density: 0.933 g/cm3
Boiling Point: 199.5 °C at 760 mmHg
Flash Point: 78 °C
PSA: 37.30000
LogP: 0.98240
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Specification

The CAS register number of 4-Hydroxy-5-methyl-2-hexanone is 38836-21-4. It also can be called as 2-hexanone, 4-hydroxy-5-methyl- and the systematic name about this chemical is 4-hydroxy-5-methylhexan-2-one. The molecular formula about this chemical is C7H14O2 and the molecular weight is 130.18.

Physical properties about 4-Hydroxy-5-methyl-2-hexanone are: (1)ACD/LogP: 0.44; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 26.3 Å2; (6)Index of Refraction: 1.429; (7)Molar Refractivity: 35.96 cm3; (8)Molar Volume: 139.4 cm3; (9)Polarizability: 14.25x10-24cm3; (10)Surface Tension: 30.3 dyne/cm; (11)Density: 0.933 g/cm3; (12)Flash Point: 78 °C; (13)Enthalpy of Vaporization: 50.69 kJ/mol; (14)Boiling Point: 199.5 °C at 760 mmHg; (15)Vapour Pressure: 0.0855 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)CC(O)C(C)C
(2)InChI: InChI=1/C7H14O2/c1-5(2)7(9)4-6(3)8/h5,7,9H,4H2,1-3H3
(3)InChIKey: BXQODTBLKZARFD-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H14O2/c1-5(2)7(9)4-6(3)8/h5,7,9H,4H2,1-3H3
(5)Std. InChIKey: BXQODTBLKZARFD-UHFFFAOYSA-N