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(R)-Methyl 2-hydroxy-3-methylbutanoate

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Name

(R)-Methyl 2-hydroxy-3-methylbutanoate

EINECS N/A
CAS No. 90244-32-9 Density 1.021 g/cm3
PSA 46.53000 LogP 0.17630
Solubility N/A Melting Point N/A
Formula C6H12O3 Boiling Point 165.6 °C at 760 mmHg
Molecular Weight 132.159 Flash Point 57.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 90244-32-9 ((R)-Methyl 2-hydroxy-3-methylbutanoate) Hazard Symbols N/A
Synonyms

Butanoic acid, 2-hydroxy-3-methyl-, methyl ester, (2R)-;Methyl (2R)-2-hydroxy-3-methylbutanoate;

Article Data 16

(R)-Methyl 2-hydroxy-3-methylbutanoate 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

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