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(+)-2-Methylbutanoic acid

(+)-2-Methylbutanoic acid structure

(+)-2-Methylbutanoic acid 

structure
  • CAS No:

    1730-91-2

  • Formula:

    C5H10O2

  • Chemical Name:

    (+)-2-Methylbutanoic acid

  • Synonyms:

    Butanoic acid,2-methyl-,(2S)-;Butyric acid,2-methyl-,(S)-;Butanoic acid,2-methyl-,(S)-;Butyric acid,2-methyl-,l-;(2S)-2-Methylbutanoic acid;(+)-2-Methylbutyric acid;S-(+)-2-Methylbutanoic acid;(S)-2-Methylbutanoic acid;(S)-(+)-2-Methylbutyric acid;(+)-(S)-2-Methylbutanoic acid;(S)-2-Methylbutyric acid;(+)-2-Methylbutanoic acid;(+)-α-Methylbutyric acid;(2S)-2-Methylbutyric acid;(2S)-2-Methylbutanoic acid

  • Categories:

    Active Pharmaceutical Ingredients  >  Drug Metabolism

Description

(S)-2-methylbutyric acid is the (S)-enantiomer of 2-methylbutanoic acid. It is a conjugate acid of a (S)-2-methylbutanoate. It is an enantiomer of a (R)-2-methylbutyric acid.

(+)-2-Methylbutanoic acid Basic Attributes

102.13200

102.13

5N31513I0N

2915900090

Characteristics

37.30000

1.11710

clear colorless liquid

0.9332 g/cm3 @ Temp: 25 °C

218-220 °C (decomp)

172-174 °C

73ºC

1.4041-1.4061

2.811e+004 mg/L @ 25 °C (est)

2-8ºC

0.554mmHg at 25°C

Safety Information

UN 3265

R21/22; R34

S26; S36/37/39; S45

C

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:102.13
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:102.068079557
Monoisotopic Mass:102.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:7
Complexity:68.5
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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