I1754

Isobutyric acid

99%

• Synonym(s): 2-Methylpropionic acid
• 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

Properties

• 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

Description

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

Safety Information

• Pictograms: GHS02,GHS06,GHS05
• Signal Word: Danger
• Hazard Statements: H226,H302,H311,H314
• Precautionary Statements: P210 - P233 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• 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