8.00472

Isobutyric acid

for synthesis

• Synonym(s): Isobutyric acid, 2-Methylpropionic acid
• Linear Formula: (CH₃)₂CHCOOH
• CAS Number: 79-31-2
• Molecular Weight: 88.11
• MDL number: MFCD00002658
• UNSPSC Code: 12352106
• EC Index Number: 201-195-7
• NACRES: NA.22

Properties

• vapor pressure: 2 hPa ( 20 °C)
• Quality Level: 200
• Assay: ≥99.0% (GC)
• form: liquid
• autoignition temp.: 455 °C
• potency: 266 mg/kg LD₅₀, oral (Rat); 475 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 1.6-7.3 % (v/v)
• pH: 2.3 (25 °C, 500 g/L in H₂O)
• mp: -46 °C
• transition temp: flash point 62 °C
• solubility: 618 g/L
• density: 0.95 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: OC(=O)C(C)C
• InChI: 1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
• InChI key: KQNPFQTWMSNSAP-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.947 - 0.949
Water (K. F.): ≤ 0.20 %
Identity (IR): passes test

Safety Information

• Pictograms: GHS02,GHS05,GHS06
• 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