A0667312
Acetoin , 97%, may exist in crystal dilate , 513-86-0
Synonym(s):
3-Hydroxy-2-butanone;Acetyl methyl carbinol, Acetoin;Acetylmethylcarbinol
CAS NO.：513-86-0
Empirical Formula: C4H8O2
Molecular Weight: 88.11
MDL number: MFCD00004521
EINECS: 208-174-1
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | 15 °C (monomer) |
| Boiling point: | 148 °C(lit.) |
| Density | 1.013 g/mL at 25 °C(lit.) |
| vapor pressure | 86hPa at 20℃ |
| refractive index | n |
| FEMA | 2008 | ACETOIN |
| Flash point: | 123 °F |
| storage temp. | 2-8°C |
| solubility | All forms are miscible with water, alcohol, Propylene glycol, Glycerine and common flavor materials. Poorly soluble in hydrocarbons. |
| pka | 13.21±0.20(Predicted) |
| form | Liquid (Monomer) or Powder or Crystals (Dimer) |
| color | Pale yellow to green-yellow or white to yellow |
| Odor | Intensely creamy-fatty-buttery, penetrating odor, yet milder and less “quinone’’-like than Diacetyl, not as sharp or volatile. Pleasant in extreme dilution. |
| Odor Type | buttery |
| biological source | synthetic |
| Water Solubility | H2O: 0.1g/mL, clear |
| Merck | 14,64 |
| JECFA Number | 405 |
| BRN | 385636 |
| Henry's Law Constant | 3.1×100 mol/(m3Pa) at 25℃, Wu et al. (2022) |
| Stability: | Hygroscopic |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3 |
| InChIKey | ROWKJAVDOGWPAT-UHFFFAOYSA-N |
| SMILES | CC(O)C(C)=O |
| LogP | 0.1 at 25℃ |
| CAS DataBase Reference | 513-86-0(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Butanone, 3-hydroxy-(513-86-0) |
| EPA Substance Registry System | 2-Butanone, 3-hydroxy- (513-86-0) |
Description and Uses
Used as pharmaceutical intermediates, food spices; mainly for the preparation of cream, dairy, yogurt and strawberry spices.
Safety
| Symbol(GHS) |   GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H226 |
| Precautionary statements | P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235 |
| PPE | Eyeshields, Gloves, type P3 (EN 143) respirator cartridges |
| Hazard Codes | Xi,F |
| Risk Statements | 10-36/38-38-11 |
| Safety Statements | 26-36-36/37 |
| RIDADR | UN 2621 |
| WGK Germany | 1 |
| RTECS | EL8790000 |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29144090 |
| Storage Class | 4.1B - Flammable solid hazardous materials |
| Hazard Classifications | Eye Irrit. 2 Flam. Sol. 2 Skin Irrit. 2 |
| Hazardous Substances Data | 513-86-0(Hazardous Substances Data) |
| Toxicity | skn-rbt 500 mg/24H MOD CNREA8 33,3069,73 |
| REACH Registrations | Active |
| Limited Quantities | 5.0 Kg (11 lbs) (solid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
