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13748-90-8

Basic Information
CAS No.: 13748-90-8
Name: Pentanoic acid,2-hydroxy-4-methyl-, (2S)-
Article Data: 65
Cas Database
Molecular Structure:
Molecular Structure of 13748-90-8 (Pentanoic acid,2-hydroxy-4-methyl-, (2S)-)
Formula: C6H12O3
Molecular Weight: 132.159
Synonyms: Pentanoicacid, 2-hydroxy-4-methyl-, (S)-;Valeric acid, 2-hydroxy-4-methyl-, L-(+)-(8CI);(+)-2-Hydroxyisocaproic acid;(+)-a-Hydroxyisocaproic acid;(2S)-2-Hydroxy-4-methylpentanoic acid;(S)-2-Hydroxyisocaproic acid;(S)-Leucicacid;L-2-Hydroxy-4-methylvaleric acid;L-2-Hydroxyisocaproic acid;L-a-Hydroxyisocaproic acid;S-2-Hydroxy-4-methylpentanoic acid;
EINECS: 237-329-6
Density: 1.097 g/cm3
Melting Point: 78-80 °C(lit.)
Boiling Point: 251.314 °C at 760 mmHg
Flash Point: 120.052 °C
Solubility: almost transparency
Appearance: white to light yellow crystal powder
Hazard Symbols: N/A
Risk Codes: N/A
Safety: 24/25
Transport Information: N/A
PSA: 57.53000
LogP: 0.47800
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    Hangzhou ZeErRui Chemical Co., Ltd. located in Lingang industrial areas, our plant covers an area of 6000 square meters.ZeErRui dedicated to the development, production and marketing of chemicals. We have earned ourselves a good reputation at home an

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  • Casno:

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Specification

The Pentanoic acid,2-hydroxy-4-methyl-, (2S)-, with CAS registry number 13748-90-8, belongs to the following product categories: (1)Chiral; (2)API intermediates; (3)Carboxylic Acids (Chiral); (4)Chiral Building Blocks; (5)Synthetic Organic Chemistry. It has the systematic name of (2S)-2-hydroxy-4-methylpentanoic acid. This chemical should be stored at the temperature of -15°C.

Physical properties of Pentanoic acid,2-hydroxy-4-methyl-, (2S)-: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.39; (4)ACD/LogD (pH 7.4): -2.85; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 32.86 cm3; (15)Molar Volume: 120.4 cm3; (16)Polarizability: 13.02×10-24cm3; (17)Surface Tension: 40.6 dyne/cm; (18)Enthalpy of Vaporization: 56.77 kJ/mol; (19)Vapour Pressure: 0.00324 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](O)CC(C)C
(2)InChI: InChI=1/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
(3)InChIKey: LVRFTAZAXQPQHI-YFKPBYRVBW
(4)Std. InChI: InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
(5)Std. InChIKey: LVRFTAZAXQPQHI-YFKPBYRVSA-N