Pivalic acid
ALDRICH/T71803 - 99%
Synonym: 2,2-
CAS Number: 75-98-9
Empirical Formula (Hill Notation): C5H10O2
Molecular Weight: 102.13
EC Number: 200-922-5
MDL Number: MFCD00004194
Linear Formula: (CH3)3CCO2H
Product Type: Chemical
| assay | 99% |
| bp | 163-164 °C (lit.) |
| density | 0.889 g/mL at 25 °C (lit.) |
| functional group | carboxylic acid |
| InChI | 1S/C5H10O2/c1-5(2,3)4(6)7 |
| InChI key | IUGYQRQAERSCNH-UHFFFAOYSA |
| mp | 32-35 °C (lit.) |
| Quality Level | 200  |
| reaction suitability | reaction type: C-H Activation |
| SMILES string | OC(C(C)(C)C)=O |
| vapor density | 3.6 (vs air) |
| vapor pressure | 9.75 mmHg ( 60 °C) |
| Application: | Pivalic acid can be employed: • As a co-catalyst with palladium for the arylation of unactivated arenes and N-heterocycles. • As an additive to facilitate the carbonylative suzuki reactions to synthesize biaryl ketones from aryl iodides and arylboronic acids by using palladium nanoparticles as catalyst. • In the cyclization reaction of benzamides with alkynes to synthesize isoquinolones in the presence of 8-aminoquinoline ligand and cobalt catalyst. |
| Caution: | Pungent odour/Stench |
| Packaging: | 5, 100, 500 mL in glass bottle |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302 - H315 - H319 |
| Precautionary statements | P264 - P270 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | C |
| Risk Statements | 21/22-34 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 3261 8 / PGII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 147.2 °F - closed cup |
| Flash Point(C) | 64 °C - closed cup |
| Purity | 99% |
| bp | 163-164 °C (lit.) |
| mp | 32-35 °C (lit.) |
| Density | 0.889 g/mL at 25 °C (lit.) |
| UNSPSC | 12352100 |