Acetoin
ALDRICH/W200808 - primarily dimer, ≥95%, FG
Synonym: 3-Hydroxy-2-butanone; Acetylmethylcarbinol
CAS Number: 513-86-0
Empirical Formula (Hill Notation): C4H8O2
Molecular Weight: 88.11
EC Number: 208-174-1
MDL Number: MFCD00004521
Linear Formula: CH3COCH(OH)CH3
Product Type: Chemical
| agency | follows IFRA guidelines |
| application(s) | flavors and fragrances |
| assay | ≥95% |
| biological source | synthetic |
| bp | 148 °C (lit.) |
| density | 1.013 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/C4H8O2/c1-3(5)4(2)6/h3 |
| InChI key | ROWKJAVDOGWPAT-UHFFFAOYSA |
| mp | 15 °C (monomer) |
| 90 °C (dimer) (lit.) | |
| organoleptic | butter; creamy; cheesy |
| Quality Level | 400  |
| refractive index | n |
| reg. compliance | EU Regulation 1223/2009 |
| EU Regulation 1334/2008 & 178/2002 | |
| FDA 21 CFR 117 | |
| FDA 21 CFR 182.60 | |
| SMILES string | CC(O)C(C)=O |
| solubility | acetone: soluble(lit.) |
| water: soluble(lit.) | |
| storage temp. | 2-8°C |
| General description: | Acetoin is a volatile compound widely employed as flavour and fragrance compound in foods, cigarettes, cosmetics, detergents, chemical synthesis, plant growth promoters and biological pest controls. Acetoin is the main extracellular product of Bacilus subtilis grown on glucose and other fermentable carbon sources. It contributes to the aroma and flavor associated with alcoholic beverages. Production of acetoin by wine yeast fermentation has been reported. Acetoin is naturally present in buttery foods such as beer, butter and cheese. Determination of diacetyl and acetoin to evaluate the workplace exposures at a popcorn processing facility has been reported. |
| General description: | Acetoin is an acyloin derivative. In the presence of light and moisture it transforms into a white colored solid dimer. It is formed by the reduction of diacetyl. It has been synthesized from acetaldehyde. |
| Legal Information: | Additional information may be required prior to purchase of this material |
| Packaging: | 1 kg in poly bottle |
| Packaging: | 5, 25 kg in poly drum |
| Symbol |   GHS02,GHS05 |
| Signal word | Danger |
| Hazard statements | H226 - H318 |
| Precautionary statements | P210 - P233 - P240 - P241 - P280 - P305 + P351 + P338 |
| Hazard Codes | F,Xi |
| Risk Statements | 11-36/38 |
| Safety Statements | 26 |
| RIDADR | UN1325 - class 4.1 - PG 3 - Flammable solids, organic, n.o.s., H |
| WGK Germany | WGK 1 |
| Flash Point(F) | 118.4 °F - closed cup |
| Flash Point(C) | 48 °C - closed cup |
| Purity | ≥95% |
| bp | 148 °C (lit.) |
| mp | 15 °C (monomer); 90 °C (dimer) (lit.) |
| Density | 1.013 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| FEMA Number | 2008 |
| UNSPSC | 12164502 |