CAS No.90244-32-9,(R)-Methyl 2-hydroxy-3-methylbutanoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	90244-32-9
Name:	(R)-Methyl 2-hydroxy-3-methylbutanoate
Article Data:	16

Formula:	C₆H₁₂O₃
Molecular Weight:	132.159
Synonyms:	Butanoic acid, 2-hydroxy-3-methyl-, methyl ester, (2R)-;Methyl (2R)-2-hydroxy-3-methylbutanoate;
Density:	1.021 g/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 IUPAC name of (R)-Methyl 2-hydroxy-3-methylbutanoate is methyl (2R)-2-hydroxy-3-methylbutanoate. With the CAS registry number 90244-32-9, it is also named as Butanoic acid, 2-hydroxy-3-methyl-, methyl ester, (2R)-. In addition, its molecular formula is C₆H₁₂O₃ and its molecular weight is 132.16.

The other characteristics of (R)-Methyl 2-hydroxy-3-methylbutanoate can be summarized as: (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)Density: 1.021 g/cm³; (19)Flash Point: 57.2 °C; (20)Enthalpy of Vaporization: 46.82 kJ/mol; (21)Boiling Point: 165.6 °C at 760 mmHg; (22)Vapour Pressure: 0.622 mmHg at 25 °C.

People can use the following data to convert to the molecule 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-/m1/s1
(3)InChIKey:YSGBMDFJWFIEDF-RXMQYKEDBW
(4)Std. InChI:InChI=1S/C6H12O3/c1-4(2)5(7)6(8)9-3/h4-5,7H,1-3H3/t5-/m1/s1
(5)Std. InChIKey:YSGBMDFJWFIEDF-RXMQYKEDSA-N