2,6-Dimethyl-4-heptanone
ALDRICH/W353701 - ≥99%
Synonym: Cognac heptanone; Diisobutyl ketone; Isovalerone
CAS Number: 108-83-8
Empirical Formula (Hill Notation): C9H18O
Molecular Weight: 142.24
EC Number: 203-620-1
MDL Number: MFCD00008940
Linear Formula: (CH3)2CHCH2COCH2CH(CH3)2
Product Type: Chemical
| agency | meets purity specifications of JECFA |
| application(s) | flavors and fragrances |
| assay | ≥99% |
| autoignition temp. | 745 °F |
| biological source | synthetic |
| bp | 165-170 °C (lit.) |
| density | 0.808 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| expl. lim. | 0.8-6.2 %, 100 °F |
| food allergen | no known allergens |
| InChI | 1S/C9H18O/c1-7(2)5-9(10)6 |
| InChI key | PTTPXKJBFFKCEK-UHFFFAOYSA |
| organoleptic | banana; green; ethereal; fruity; pineapple |
| refractive index | n |
| reg. compliance | FDA 21 CFR 117 |
| SMILES string | CC(C)CC(=O)CC(C)C |
| vapor density | 4.9 (vs air) |
| vapor pressure | 1.7 mmHg ( 20 °C) |
| Disclaimer: | For R&D or non-EU Food use. Not for retail sale. |
| Packaging: | 1 kg in poly bottle |
| Packaging: | 200 g in poly bottle |
| Symbol |   GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H226 - H335 |
| Precautionary statements | P210 |
| Hazard Codes | Xi |
| Risk Statements | 10-37 |
| Safety Statements | 24 |
| RIDADR | UN1157 - class 3 - PG 3 - Diisobutyl ketone |
| WGK Germany | WGK 1 |
| Flash Point(F) | 120.2 °F - closed cup |
| Flash Point(C) | 49 °C - closed cup |
| Purity | ≥99% |
| bp | 165-170 °C (lit.) |
| Density | 0.808 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 3537 |
| UNSPSC | 12164502 |