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(S)-(+)-2-Methylbutyric acid

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Name

(S)-(+)-2-Methylbutyric acid

EINECS 204-145-2
CAS No. 1730-91-2 Density 0.963 g/cm3
PSA 37.30000 LogP 1.11710
Solubility N/A Melting Point -55°C
Formula C5H10O2 Boiling Point 175.295 °C at 760 mmHg
Molecular Weight 102.133 Flash Point 73.402 °C
Transport Information UN 3265 8/PG 2 Appearance clear colorless liquid
Safety 26-36/37/39-45 Risk Codes 34-21/22
Molecular Structure Molecular Structure of 1730-91-2 ((S)-(+)-2-Methylbutyric acid) Hazard Symbols CorrosiveC
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;

Article Data 26

(S)-(+)-2-Methylbutyric acid Specification

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

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