3-Methyl-1,2-cyclohexanedione
ALDRICH/W330507 - ≥98%, FG
Synonym: coffee dione
CAS Number: 3008-43-3
Empirical Formula (Hill Notation): C7H10O2
Molecular Weight: 126.15
EC Number: 221-122-2
MDL Number: MFCD00209518
Linear Formula: CH3C6H7(=O)2
Product Type: Chemical
| agency | meets purity specifications of JECFA |
| application(s) | flavors and fragrances |
| assay | ≥98% |
| biological source | synthetic |
| bp | 69-72 °C/1 mmHg (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | FG |
| Halal | |
| InChI | 1S/C7H10O2/c1-5-3-2-4-6(8 |
| InChI key | JDXJKLGWPNXSHL-UHFFFAOYSA |
| mp | 61-63 °C (lit.) |
| organoleptic | bread; burnt; caramel; coffee; maple |
| Quality Level | 300  |
| 400 |
|
| reg. compliance | EU Regulation 1334/2008 & 178/2002 |
| SMILES string | CC1CCCC(=O)C1=O |
| Packaging: | 1 kg in poly bottle |
| Packaging: | 25, 100 g in poly bottle |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | ≥98% |
| bp | 69-72 °C/1 mmHg (lit.) |
| mp | 61-63 °C (lit.) |
| FEMA Number | 3305 |
| UNSPSC | 12164502 |