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 | green; ethereal; fruity |
Quality Level | 400 ![]() |
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) |
Packaging: | 1 kg in poly bottle |
Packaging: | 200 g in poly bottle |
Symbol | ![]() ![]() |
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 |