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2-Hexanone,4-hydroxy-5-methyl-, (4S)- (65651-63-0)

Identification
Name:2-Hexanone,4-hydroxy-5-methyl-, (4S)-
Synonyms:2-Hexanone,4-hydroxy-5-methyl-, (S)-;(S)-4-Hydroxy-5-methyl-2-hexanone;
CAS:65651-63-0
Molecular Formula: C7H14O2
Molecular Weight: 130.18
InChI: InChI=1/C7H14O2/c1-5(2)7(9)4-6(3)8/h5,7,9H,4H2,1-3H3/t7-/m0/s1
Molecular Structure: (C7H14O2) 2-Hexanone,4-hydroxy-5-methyl-, (S)-;(S)-4-Hydroxy-5-methyl-2-hexanone;
Properties
Flash Point: 78 ºC
Density:0.933
Refractive index:1.429
Specification:

The CAS register number of (S)-4-Hydroxy-5-methyl-2-hexanone is 65651-63-0. It also can be called as 2-Hexanone,4-hydroxy-5-methyl-, (4S)- and the systematic name about this chemical is (4S)-4-hydroxy-5-methylhexan-2-one. The molecular formula about this chemical is C7H14O2 and the molecular weight is 130.18.

Physical properties about (S)-4-Hydroxy-5-methyl-2-hexanone are: (1)ACD/LogP: 0.44; (2)ACD/LogD (pH 5.5): 0.44; (3)ACD/LogD (pH 7.4): 0.44; (4)ACD/BCF (pH 5.5): 1.28; (5)ACD/BCF (pH 7.4): 1.28; (6)ACD/KOC (pH 5.5): 41.42; (7)ACD/KOC (pH 7.4): 41.42; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 26.3Å2; (12)Index of Refraction: 1.429; (13)Molar Refractivity: 35.96 cm3; (14)Molar Volume: 139.4 cm3; (15)Polarizability: 14.25x10-24cm3; (16)Surface Tension: 30.3 dyne/cm; (17)Enthalpy of Vaporization: 50.69 kJ/mol; (18)Boiling Point: 199.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0855 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)C[C@H](O)C(C)C
(2)InChI: InChI=1/C7H14O2/c1-5(2)7(9)4-6(3)8/h5,7,9H,4H2,1-3H3/t7-/m0/s1
(3)InChIKey: BXQODTBLKZARFD-ZETCQYMHBV
(4)Std. InChI: InChI=1S/C7H14O2/c1-5(2)7(9)4-6(3)8/h5,7,9H,4H2,1-3H3/t7-/m0/s1
(5)Std. InChIKey: BXQODTBLKZARFD-ZETCQYMHSA-N

Flash Point: 78 ºC
Safety Data
 

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