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I1754

Sigma-Aldrich

Isobutyric acid

99%

Synonym(s):

2-Methylpropionic acid

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About This Item

Linear Formula:
(CH3)2CHCO2H
CAS Number:
79-31-2
Molecular Weight:
88.11
Beilstein:
635770
EC Number:
201-195-7
MDL number:
MFCD00002658
UNSPSC Code:
12352100
PubChem Substance ID:
24895944
NACRES:
NA.22

vapor density

3.04 (vs air)

vapor pressure

1.5 mmHg ( 20 °C)

Assay

99%

form

liquid

autoignition temp.

824 °F

expl. lim.

10 %

refractive index

n20/D 1.393 (lit.)

bp

153-154 °C (lit.)

mp

−47 °C (lit.)

density

0.95 g/mL at 25 °C (lit.)

SMILES string

CC(C)C(O)=O

InChI

1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)

InChI key

KQNPFQTWMSNSAP-UHFFFAOYSA-N

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General description

Isobutyric acid is a carboxylic acid used as a building block in the production of active pharmaceutical ingredients (APIs).

Signal Word

Danger

Hazard Statements

H226,H302,H311,H314

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

131.0 °F - closed cup

Flash Point(C)

55 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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A Vyalikh et al.
Physical chemistry chemical physics : PCCP, 9(18), 2249-2257 (2007-05-10)
Solid state deuterium NMR has been used to study the molecular motion of d(6)-isobutyric acid (d(6)-iBA) in the pure (unconfined) state and confined in the cylindrical pores of two periodic mesoporous silica materials (MCM-41, pore size 3.3 nm and SBA-15
E M Faed et al.
Clinical and experimental pharmacology & physiology, 5(2), 195-198 (1978-03-01)
1. Two main conjugates of CPIB (2-[chlorophenoxy]-2-methylpropionic acid) are present in the urine of subjects taking clofibrate. The metabolites can be separated by thin-layer chromatography (TLC). 2. Both conjugates are hydrolysed by dilute alkali, but only one is hydrolysed by
Ritu Lal et al.
The Journal of pharmacology and experimental therapeutics, 330(3), 911-921 (2009-06-09)
Baclofen is a racemic GABA(B) receptor agonist that has a number of significant pharmacokinetic limitations, including a narrow window of absorption in the upper small intestine and rapid clearance from the blood. Arbaclofen placarbil is a novel transported prodrug of
Kimberlee S Mix et al.
Molecular pharmacology, 65(2), 309-318 (2004-01-27)
Matrix metalloproteinases (MMPs) degrade extracellular matrix components, and overexpression of these enzymes contributes to tissue destruction in arthritis. Of particular importance are the collagenases, MMP-1 and MMP-13, which have high activity against the interstitial collagens in cartilage. In this study
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