Name: Methyl 2-hydroxy-3-methylbutanoate
SKU: 21632-23-5

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Basic Information

Molecular Structure:
CAS No.:	21632-23-5
Name:	Methyl 2-hydroxy-3-methylbutanoate

Formula:	C₆H₁₂O₃
Molecular Weight:	132.159
Synonyms:	Butanoic acid, 2-hydroxy-3-methyl-, methyl ester;
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 Methyl 2-hydroxy-3-methylbutanoate, with the CAS registry number 21632-23-5, is also known as Butanoic acid, 2-hydroxy-3-methyl-, methyl ester. This chemical's molecular formula is C₆H₁₂O₃ and molecular weight is 132.158. Its systematic name is called methyl 2-hydroxy-3-methylbutanoate.

Physical properties of 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)Index of Refraction: 1.425; (13)Molar Refractivity: 33.07 cm³; (14)Molar Volume: 129.3 cm³; (15)Surface Tension: 31.8 dyne/cm; (16)Density: 1.021 g/cm³; (17)Flash Point: 57.2 °C; (18)Enthalpy of Vaporization: 46.82 kJ/mol; (19)Boiling Point: 165.6 °C at 760 mmHg; (20)Vapour Pressure: 0.622 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C(O)C(C)C
(2)InChI: InChI=1/C6H12O3/c1-4(2)5(7)6(8)9-3/h4-5,7H,1-3H3
(3)InChIKey: YSGBMDFJWFIEDF-UHFFFAOYAY