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Methyl 2-hydroxyisobutyrate

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Name Methyl 2-hydroxyisobutyrate EINECS 218-301-2
CAS No. 2110-78-3 Density 1.053 g/cm3
Solubility Melting Point
Formula C5H10O3 Boiling Point 134.7 °C at 760 mmHg
Molecular Weight 118.13 Flash Point 36.8 °C
Transport Information UN 3272 3/PG 3 Appearance clear colourless liquid
Safety 16 Risk Codes 10
Molecular Structure Molecular Structure of 2110-78-3 (Propanoic acid,2-hydroxy-2-methyl-, methyl ester) Hazard Symbols
Synonyms

Lacticacid, 2-methyl-, methyl ester (6CI,7CI,8CI);2-Hydroxy-2-methylpropionic acidmethyl ester;2-Hydroxyisobutyric acid methyl ester;Methyl2-hydroxy-2-methylpropanoate;Methyl 2-hydroxy-2-methylpropionate;Methyl 2-methyl-2-hydroxypropionate;Methyl2-methyllactate;Methyl a-hydroxyisobutyrate;NSC 7305;NSC 9381;a-Hydroxyisobutyric acid methyl ester;

 

Specification

The Propanoic acid,2-hydroxy-2-methyl-, methyl ester is an organic compound with the formula C5H10O3. The IUPAC name of this chemical is methyl 2-hydroxy-2-methylpropanoate. With the CAS registry number 2110-78-3, it is also named as Lactic acid, 2-methyl-, methyl ester. Besides, it is clear colourless liquid, which should be stored at temperature of 2 - 8 °C. It is used as a raw material in organic synthesis.

Physical properties about Propanoic acid,2-hydroxy-2-methyl-, methyl ester are: (1)ACD/LogP: -0.37; (2)ACD/LogD (pH 5.5): -0.37; (3)ACD/LogD (pH 7.4): -0.37; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15; (7)ACD/KOC (pH 7.4): 15; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.422; (13)Molar Refractivity: 28.48 cm3; (14)Molar Volume: 112.1 cm3; (15)Polarizability: 11.29×10-24cm3; (16)Surface Tension: 32.4 dyne/cm; (17)Density: 1.053 g/cm3; (18)Flash Point: 36.8 °C; (19)Enthalpy of Vaporization: 43.36 kJ/mol; (20)Boiling Point: 134.7 °C at 760 mmHg; (21)Vapour Pressure: 3.46 mmHg at 25°C.

Preparation: this chemical can be prepared by methanol and 2-hydroxy-2-methyl-propaionic acid. This reaction will need reagent SOCl2. The yield is about 81%.



Uses of Propanoic acid,2-hydroxy-2-methyl-, methyl ester: it can be used to produce methyl 2-methyl-2-(triethylsiloxy)propanoate at temperature of 60 °C. It will need reagent pyridine. The yield is about 91%.

When you are using this chemical, please be cautious about it as the following:
It is flammable. When you are using it, please keep away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C(O)(C)C
(2)InChI: InChI=1/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3
(3)InChIKey: XYVQFUJDGOBPQI-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3
(5)Std. InChIKey: XYVQFUJDGOBPQI-UHFFFAOYSA-N

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