I1754
Isobutyric acid
99%
Synonym(s):
2-Methylpropionic acid
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About This Item
Linear Formula:
(CH3)2CHCO2H
CAS Number:
Molecular Weight:
88.11
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
201-195-7
Beilstein/REAXYS Number:
635770
MDL number:
Assay:
99%
Form:
liquid
vapor density
3.04 (vs air)
Quality Level
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
General description
Isobutyric acid is a carboxylic acid used as a building block in the production of active pharmaceutical ingredients (APIs).
Application
Isobutyric acid can be used:
- to synthesize butyl isobutyrate via esterification with n-butanol using lipases
- as a precursor for Methacrylic acid (MAA) through catalytic oxidative dehydrogenation. It can be produced through fermentative pathways
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B
Storage Class
3 - Flammable liquids
flash_point_f
131.0 °F - closed cup
flash_point_c
55 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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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
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