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Merck

I1754

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24895944
EC Number:
201-195-7
Beilstein/REAXYS Number:
635770
MDL number:
MFCD00002658
Assay:
99%
Form:
liquid

Key Documents

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InChI key

KQNPFQTWMSNSAP-UHFFFAOYSA-N

InChI

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

SMILES string

CC(C)C(O)=O

vapor density

3.04 (vs air)

vapor pressure

1.5 mmHg ( 20 °C)

assay

99%

form

liquid

autoignition temp.

824 °F

expl. lim.

10 %

Quality Level

100

bp

153-154 °C (lit.)

mp

−47 °C (lit.)

density

0.95 g/mL at 25 °C (lit.)

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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).

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

signalword

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

flash_point_f

131.0 °F - closed cup

flash_point_c

55 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Group 4: Flammable liquids + Type 2 petroleums + Hazardous rank III + Water soluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

I1754-500ML: + I1754-VAR: + I1754-1L: + I1754-BULK: + I1754-100ML:

jan

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Certificates of Analysis (COA)

Lot/Batch Number
MKCX9227
MKCT9170
MKCP9198
MKCK3340
MKCF5261

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Livia H Morais et al.
Current biology : CB, 30(19), 3761-3774 (2020-08-22)
Birth by Caesarean (C)-section impacts early gut microbiota colonization and is associated with an increased risk of developing immune and metabolic disorders. Moreover, alterations of the microbiome have been shown to affect neurodevelopmental trajectories. However, the long-term effects of C-section
Julia Biermann et al.
Molecular vision, 17, 395-403 (2011-02-12)
Histone deacetylase inhibitors (HDACi) have neuroprotective effects under various neurodegenerative conditions, e.g., after optic nerve crush (ONC). HDACi-mediated protection of central neurons by increased histone acetylation has not previously been demonstrated in rat retinal ganglion cells (RGCs), although epigenetic changes
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
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
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
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