3,4-Hexanedione
ALDRICH/W316814 - ≥95%, FG
Synonym: Hexane-3,4-dione
CAS Number: 4437-51-8
Empirical Formula (Hill Notation): C6H10O2
Molecular Weight: 114.14
EC Number: 224-651-7
MDL Number: MFCD00010237
Linear Formula: CH2CH2COCOCH2CH3
Product Type: Chemical
| agency | follows IFRA guidelines |
| application(s) | flavors and fragrances |
| assay | ≥95% |
| biological source | synthetic |
| bp | 131 °C (lit.) |
| density | 0.939 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| fragrance allergen | no known allergens |
| grade | FG |
| Fragrance grade | |
| Halal | |
| Kosher | |
| InChI | 1S/C6H10O2/c1-3-5(7)6(8)4 |
| InChI key | KVFQMAZOBTXCAZ-UHFFFAOYSA |
| organoleptic | caramel; buttery |
| Quality Level | 300  |
| 400 |
|
| refractive index | n |
| reg. compliance | EU Regulation 1223/2009 |
| EU Regulation 1334/2008 & 872/2012 | |
| SMILES string | CCC(=O)C(=O)CC |
| Biochem/physiol Actions: | Odor at 1.0% |
| Biochem/physiol Actions: | Taste at 5 ppm |
| General description: | 3,4-Hexanedione occurs naturally in honey and coffee. It has been proposed as a substitute for diacetyl in butter flavorings. |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 100, 250 g in glass bottle |
| Packaging: | 4 kg in steel drum |
| Symbol |  GHS02 |
| Signal word | Warning |
| Hazard statements | H226 |
| Precautionary statements | P210 |
| Risk Statements | 10 |
| Safety Statements | 23-24/25 |
| RIDADR | UN1224 - class 3 - PG 3 - Ketones, liquid, n.o.s., HI: all |
| WGK Germany | WGK 1 |
| Flash Point(F) | 80.6 °F - closed cup |
| Flash Point(C) | 27 °C - closed cup |
| Purity | ≥95% |
| bp | 131 °C (lit.) |
| Density | 0.939 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 3168 |
| UNSPSC | 12164502 |