CAS No.24347-63-5,2-(S)-Hydroxy-3-methylbutyric acid methyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	24347-63-5
Name:	2-(S)-Hydroxy-3-methylbutyric acid methyl ester
Article Data:	41

Formula:	C₆H₁₂O₃
Molecular Weight:	132.159
Synonyms:	Butanoic acid,2-hydroxy-3-methyl-, methyl ester, (S)-;Butyric acid, 2-hydroxy-3-methyl-,methyl ester, L-(+)- (8CI);Methyl (2S)-2-hydroxy-3-methylbutanoate;Methyl(S)-2-hydroxy-3-methylbutanoate;Methyl (S)-2-hydroxy-3-methylbutyrate;Methyl2-hydroxy-L-isovalerate;
Density:	1.021g/cm³
Boiling Point:	165.6 °C at 760 mmHg
Flash Point:	57.2 °C
PSA:	46.53000
LogP:	0.17630

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Specification

The (S)-Methyl 2-hydroxy-3-methylbutanoate, with CAS registry number 24347-63-5, has the systematic name of methyl (2S)-2-hydroxy-3-methylbutanoate. Besides this, it is also called butanoic acid, 2-hydroxy-3-methyl-, methyl ester, (2S)-. And the chemical formula of this chemical is C₆H₁₂O₃.

Physical properties of (S)-Methyl 2-hydroxy-3-methylbutanoate: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.1; (8)ACD/KOC (pH 7.4): 29.1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.425; (14)Molar Refractivity: 33.07 cm³; (15)Molar Volume: 129.3 cm³; (16)Polarizability: 13.11×10^-24cm³; (17)Surface Tension: 31.8 dyne/cm; (18)Enthalpy of Vaporization: 46.82 kJ/mol; (19)Vapour Pressure: 0.622 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@@H](O)C(C)C
(2)InChI: InChI=1/C6H12O3/c1-4(2)5(7)6(8)9-3/h4-5,7H,1-3H3/t5-/m0/s1
(3)InChIKey: YSGBMDFJWFIEDF-YFKPBYRVBE
(4)Std. InChI: InChI=1S/C6H12O3/c1-4(2)5(7)6(8)9-3/h4-5,7H,1-3H3/t5-/m0/s1
(5)Std. InChIKey: YSGBMDFJWFIEDF-YFKPBYRVSA-N