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| CAS No.: | 13748-90-8 |
|---|---|
| Name: | Pentanoic acid,2-hydroxy-4-methyl-, (2S)- |
| Article Data: | 65 |
| Cas Database | |
| Molecular Structure: | |
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| 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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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
