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CAS No.: | 1730-91-2 |
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Name: | (S)-(+)-2-Methylbutyric acid |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C5H10O2 |
Molecular Weight: | 102.133 |
Synonyms: | Butanoicacid, 2-methyl-, (S)-;Butyric acid, 2-methyl-, (S)- (8CI);Butyric acid,2-methyl-, l- (6CI);(+)-(S)-2-Methylbutanoic acid;(+)-2-Methylbutanoic acid;(+)-2-Methylbutyric acid;(+)-a-Methylbutyric acid;(2S)-2-Methylbutanoic acid;(S)-2-Methylbutanoic acid;(S)-2-Methylbutyric acid;S-(+)-2-Methylbutanoic acid; |
EINECS: | 204-145-2 |
Density: | 0.963 g/cm3 |
Melting Point: | -55°C |
Boiling Point: | 175.295 °C at 760 mmHg |
Flash Point: | 73.402 °C |
Appearance: | clear colorless liquid |
Hazard Symbols: | C |
Risk Codes: | 34-21/22 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 3265 8/PG 2 |
PSA: | 37.30000 |
LogP: | 1.11710 |
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The (S)-(+)-2-Methylbutyric acid, with CAS registry number 1730-91-2, belongs to the following product categories: (1)Carboxylic Acids; (2)Chiral Building Blocks; (3)Organic Building Blocks. It has the systematic name of (2S)-2-methylbutanoic acid. And its IUPAC name is 2-methylbutanoic acid. This chemical should be stored at the temperature of 2-8°C.
Physical properties of (S)-(+)-2-Methylbutyric acid: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 16.12; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.418; (13)Molar Refractivity: 26.73 cm3; (14)Molar Volume: 106 cm3; (15)Polarizability: 10.59×10-24cm3; (16)Surface Tension: 30.9 dyne/cm; (17)Enthalpy of Vaporization: 45.39 kJ/mol; (18)Vapour Pressure: 0.554 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The (S)-(+)-2-Methylbutyric acid is harmful in contact with skin and if swallowed. And this chemical may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](C)CC
(2)InChI: InChI=1/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1
(3)InChIKey: WLAMNBDJUVNPJU-BYPYZUCNBX
(4)Std. InChI: InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1
(5)Std. InChIKey: WLAMNBDJUVNPJU-BYPYZUCNSA-N