58360

Isobutyric acid

puriss. p.a., ≥99.5%

• Synonym(s): 2-Methylpropionic acid
• Linear Formula: (CH₃)₂CHCO₂H
• CAS Number: 79-31-2
• Molecular Weight: 88.11
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 329758414
• EC Number: 201-195-7
• Beilstein/REAXYS Number: 635770
• MDL number: MFCD00002658
• Assay: ≥99.5% (GC), ≥99.5%

Properties

• vapor density: 3.04 (vs air)
• Quality Segment: 200
• 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

Description

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.

Safety Information

• pictograms: GHS02,GHS06,GHS05
• signalword: Danger
• hcodes: H226,H302,H311,H314
• pcodes: 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: 3 - Flammable liquids
• wgk: WGK 1
• flash_point_f: 131.0 °F - closed cup
• flash_point_c: 55 °C - closed cup