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Merck

58360

Isobutyric acid

puriss. p.a., ≥99.5%

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:
≥99.5% (GC), ≥99.5%
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vapor density

3.04 (vs air)

Quality Level

vapor pressure

1.5 mmHg ( 20 °C)

grade

puriss. p.a.

assay

≥99.5% (GC), ≥99.5%

autoignition temp.

824 °F

expl. lim.

10 %

impurities

≤0.2% water

refractive index

n20/D 1.393

bp

153-154 °C (lit.)

mp

−47 °C (lit.)

density

0.95 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 mg/kg, Ba: ≤0.1 mg/kg, Bi: ≤0.1 mg/kg, Ca: ≤0.5 mg/kg, Cd: ≤0.05 mg/kg, Co: ≤0.02 mg/kg, Cr: ≤0.02 mg/kg, Cu: ≤0.02 mg/kg, Fe: ≤0.1 mg/kg, K: ≤0.5 mg/kg, Li: ≤0.1 mg/kg, Mg: ≤0.1 mg/kg, Mn: ≤0.02 mg/kg, Mo: ≤0.1 mg/kg, Na: ≤2 mg/kg, Ni: ≤0.02 mg/kg, Pb: ≤0.1 mg/kg, Sr: ≤0.1 mg/kg, Zn: ≤0.1 mg/kg

functional group

carboxylic acid

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 can be prepared via the carbonylation of propylene.

Application

Isobutyric acid may be used to synthesize methacrylic acid via oxidative dehydrogenation in the presence of a suitable heteropolyacid as catalyst.


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Danger

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

131.0 °F - closed cup

flash_point_c

55 °C - closed cup



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"Acidic cesium salts of molybdovanadophosphoric acids as efficient catalysts for oxidative dehydrogenation of isobutyric acid"
Lee YK, et al.
Catalysis Today, 33(1-3), 183-189 (1997)
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