6-Methyl-2,4-heptanedione
ALDRICH/M3394 - ≥98%
Synonym: Isovalerylacetone; NSC 42238; NSC 42240; NSC 46469; NSC 94
CAS Number: 3002-23-1
Empirical Formula (Hill Notation): C8H14O2
Molecular Weight: 142.20
EC Number: 221-093-6
MDL Number: MFCD00008939
Linear Formula: (CH3)2CHCH2COCH2COCH3
Product Type: Chemical
| assay | ≥98% |
| color | colorless to faint yellow |
| density | 0.92 g/mL at 25 °C (lit.) |
| InChI | 1S/C8H14O2/c1-6(2)4-8(10) |
| InChI key | IGMOYJSFRIASIE-UHFFFAOYSA |
| Quality Level | 200  |
| SMILES string | CC(C)CC(=O)CC(C)=O |
| storage temp. | 2-8°C |
| Application: | Reactant involved in: • Cyclocondensation and deacetylation of dibromo(phenylsulfonyl)pr • Synthesis of dual activity effectors of angiotensin II type 1 receptors and peroxisome proliferator-activated receptor-γ • Addition reactions with 1-alkynes • Knoevenagel condensation • Oxidative free radical reactions with 2-amino-1,4-benzoquinones • Mild oxidative cleavage for synthesis of carboxylic acids |
| Packaging: | 25 g in glass bottle |
| Symbol |   GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H226 - H315 - H319 - H335 |
| Precautionary statements | P210 - P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | UN 1993C 3 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 138.2 °F - closed cup |
| Flash Point(C) | 59 °C - closed cup |
| Purity | ≥98% |
| Density | 0.92 g/mL at 25 °C (lit.) |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |