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| CAS No.: | 17407-55-5 |
|---|---|
| Name: | (S)-(+)-2-HYDROXY-3-METHYLBUTYRIC ACID |
| Article Data: | 53 |
| Molecular Structure: | |
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| Formula: | C5H10O3 |
| Molecular Weight: | 118.133 |
| Synonyms: | Butanoicacid, 2-hydroxy-3-methyl-, (S)-;Butyric acid, 2-hydroxy-3-methyl-, (L)- (8CI);(+)-2-Hydroxy-3-methylbutyric acid;(+)-2-Hydroxyisovaleric acid;(+)-a-Hydroxyisovaleric acid;(2S)-2-Hydroxy-3-methylbutanoic acid;(S)-(+)-2-Hydroxy-3-methyl-butanoic acid;(S)-(+)-2-Hydroxyisovaleric acid;(S)-2-Hydroxy-3-methylbutanoic acid;(S)-2-Hydroxy-3-methylbutyric acid;(S)-2-Hydroxyisovaleric acid;(S)-a-Hydroxyisovaleric acid;L-2-Hydroxy-3-methylbutyric acid;L-2-Hydroxyisovaleric acid;L-a-Hydroxyisovaleric acid; |
| EINECS: | 223-697-5 |
| Density: | 1.136 g/cm3 |
| Melting Point: | 68-70 °C(lit.) |
| Boiling Point: | 237.589 °C at 760 mmHg |
| Flash Point: | 111.76 °C |
| Appearance: | white fine crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 57.53000 |
| LogP: | 0.08790 |
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Specification
This chemical is called Butanoic acid, 2-hydroxy-3-methyl-, (2S)-, and its systematic name is (2S)-2-hydroxy-3-methylbutanoic acid. With the molecular formula of C5H10O3, its product categories are Pharmacetical; Aliphatics; Carboxylic Acids; Carboxylic Acids. The CAS registry number of this chemical is 17407-55-5.
Other characteristics of the Butanoic acid, 2-hydroxy-3-methyl-, (2S)- can be summarised as followings: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.455; (12)Molar Refractivity: 28.22 cm3; (13)Molar Volume: 103.9 cm3; (14)Polarizability: 11.19×10-24cm3; (15)Surface Tension: 41.8 dyne/cm; (16)Density: 1.136 g/cm3; (17)Flash Point: 111.8 °C; (18)Enthalpy of Vaporization: 55.14 kJ/mol; (19)Boiling Point: 237.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00793 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. 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(O)[C@@H](O)C(C)C
2.InChI: InChI=1/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1
3.InChIKey: NGEWQZIDQIYUNV-BYPYZUCNBZ