4-Hydroxy-4-methyl-2-pentanone
ALDRICH/H41544 - 99%
Synonym: Diacetone alcohol
CAS Number: 123-42-2
Empirical Formula (Hill Notation): C6H12O2
Molecular Weight: 116.16
EC Number: 204-626-7
MDL Number: MFCD00004471
Linear Formula: (CH3)2C(OH)CH2COCH3
Product Type: Chemical
| assay | 99% |
| bp | 166 °C (lit.) |
| density | 0.931 g/mL at 25 °C (lit.) |
| expl. lim. | 6.9 % |
| form | liquid |
| InChI | 1S/C6H12O2/c1-5(7)4-6(2,3 |
| InChI key | SWXVUIWOUIDPGS-UHFFFAOYSA |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | CC(=O)CC(C)(C)O |
| vapor density | 4 (vs air) |
| vapor pressure | <1 mmHg ( 20 °C) |
| Application: | 4-Hydroxy-4-methyl-2-pent • Diolmonoesters by reacting with aldehydes via tandem aldol-transfer–Tischtsche • Aldol-transfer products such as β-hydroxy ketones by reacting with various aldehydes in the presence of • Mono-α-arylated ketones and esters via Pd catalyzed reaction with aryl halides and aryl triflates, respectively. It can also be used as a complexing agent to synthesize double-metal cyanide (DMC) catalysts by reacting with metal salt (MX) and cyanometalate compounds. |
| General description: | 4-Hydroxy-4-methyl-2-pent |
| Packaging: | 25, 500 mL in glass bottle |
| Packaging: | 4 L in glass bottle |
| Symbol |    GHS02,GHS07,GHS08 |
| Signal word | Warning |
| Hazard statements | H226 - H319 - H335 - H361fd |
| Precautionary statements | P201 - P202 - P210 - P233 - P305 + P351 + P338 - P308 + P313 |
| Hazard Codes | Xi |
| Risk Statements | 36 |
| Safety Statements | 24/25 |
| RIDADR | UN1148 - class 3 - PG 3 - Diacetone alcohol |
| WGK Germany | WGK 1 |
| Flash Point(F) | 136.4 °F - closed cup |
| Flash Point(C) | 58 °C - closed cup |
| Purity | 99% |
| bp | 166 °C (lit.) |
| Density | 0.931 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |