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80657-57-4

Basic Information
CAS No.: 80657-57-4
Name: Propanoic acid,3-hydroxy-2-methyl-, methyl ester, (2S)-
Molecular Structure:
Molecular Structure of 80657-57-4 (Propanoic acid,3-hydroxy-2-methyl-, methyl ester, (2S)-)
Formula: C5H10O3
Molecular Weight: 118.13
Synonyms: (S)-3-Hydroxy-2-methylpropanoic acid methyl ester;(2S)-3-Hydroxy-2-methylpropionic acid methyl ester;(+)-Methyl b-hydroxyisobutyrate;(S)-3-Hydroxy-2-methylpropionic acid methyl ester;Methyl (2S)-3-hydroxy-2-methylpropionate;Methyl (S)-b-hydroxyisobutyrate;Methyl(S)-3-hydroxy-2-methylpropionate;Methyl (2S)-3-hydroxy-2-methylpropanoate;
EINECS:
Density: 1.051 g/cm3
Melting Point:
Boiling Point: 175.048 °C at 760 mmHg
Flash Point: 81.111 °C
Solubility: Insoluble in water. Soluble in methanol.
Appearance:
Hazard Symbols: Xn
Risk Codes: 36/37/38-20/21/22
Safety: 26-36/37/39-36-24/25
Transport Information:
PSA: 46.53000
LogP: -0.21220
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    80657-57-4

    Propanoic acid,3-hydroxy-2-methyl-, methyl ester, (2S)-

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  • Propanoic acid,3-hydroxy-2-methyl-, methyl ester, (2S)-

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    80657-57-4

    Propanoic acid,3-hydroxy-2-methyl-, methyl ester, (2S)-

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    80657-57-4

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  • Methyl (S)-(+)-3-hydroxy-2-methylpropionate

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    80657-57-4

    Methyl (S)-(+)-3-hydroxy-2-methylpropionate

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Specification

The Methyl (S)-(+)-3-Hydroxy-2-methylpropionate, with the CAS registry number 80657-57-4, has the systematic name and IUPAC name of methyl (2S)-3-hydroxy-2-methylpropanoate. It belongs to the following product categories: Building Blocks for Liquid Crystals; Chiral Building Blocks; Chiral Compounds (Building Blocks for Liquid Crystals); Esters (Chiral); Functional Materials; Synthetic Organic Chemistry. And the molecular formula of this chemical is C5H10O3.

The physical properties of Methyl (S)-(+)-3-Hydroxy-2-methylpropionate are as followings: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 46.53 Å2; (7)Index of Refraction: 1.42; (8)Molar Refractivity: 28.482 cm3; (9)Molar Volume: 112.434 cm3; (10)Polarizability: 11.291×10-24cm3; (11)Surface Tension: 33.218 dyne/cm; (12)Density: 1.051 g/cm3; (13)Flash Point: 81.111 °C; (14)Enthalpy of Vaporization: 47.893 kJ/mol; (15)Boiling Point: 175.048 °C at 760 mmHg; (16)Vapour Pressure: 0.361 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@@H](C)CO
(2)InChI: InChI=1/C5H10O3/c1-4(3-6)5(7)8-2/h4,6H,3H2,1-2H3/t4-/m0/s1
(3)InChIKey: ATCCIZURPPEVIZ-BYPYZUCNBZ