Isobutyric acid
SIAL/58360 - puriss. p.a., ≥99.5%
Synonym: 2-Methylpropionic acid
CAS Number: 79-31-2
Empirical Formula (Hill Notation): C4H8O2
Molecular Weight: 88.11
EC Number: 201-195-7
MDL Number: MFCD00002658
Linear Formula: (CH3)2CHCO2H
Product Type: Chemical
| assay | ≥99.5% |
| ≥99.5% (GC) | |
| autoignition temp. | 824 °F |
| bp | 153-154 °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 | |
| density | 0.95 g/mL at 25 °C (lit.) |
| expl. lim. | 10 % |
| grade | puriss. p.a. |
| impurities | ≤0.2% water |
| InChI | 1S/C4H8O2/c1-3(2)4(5)6/h3 |
| InChI key | KQNPFQTWMSNSAP-UHFFFAOYSA |
| mp | −47 °C (lit.) |
| Quality Level | 200  |
| refractive index | n |
| n |
|
| SMILES string | CC(C)C(O)=O |
| vapor density | 3.04 (vs air) |
| vapor pressure | 1.5 mmHg ( 20 °C) |
| Application: | Isobutyric acid may be used to synthesize methacrylic acid via oxidative dehydrogenation in the presence of a suitable heteropolyacid as catalyst. |
| General description: | Isobutyric acid can be prepared via the carbonylation of propylene. |
| Symbol |    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 Codes | C |
| Risk Statements | 10-21/22-34 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 2529 8(3) / PGIII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 131.0 °F - closed cup |
| Flash Point(C) | 55 °C - closed cup |
| Purity | ≥99.5% (GC); ≥99.5% |
| bp | 153-154 °C (lit.) |
| mp | −47 °C (lit.) |
| Density | 0.95 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |