FEMA 2008
Acetyl methyl carbinol
CAS: 513-86-0
Molecular Formula: C4H8O2
FEMA 2008 - Names and Identifiers
| Name | Acetyl methyl carbinol |
| Synonyms | Acetoin ACETOIN Acetoion FEMA 2008 DIMETHYLKETOL 2,3-BUTANOLONE 1-acetylethanol Natural Acetoin 3-hydroxybutan-2-one 3-Hydroxy-2-butanone 3-hydroxy-2-oxobutane Acetyl methyl carbinol ACETYL METHYL CARBINOL (3S)-3-hydroxybutan-2-one (3R)-3-hydroxybutan-2-one GAMMA-HYDROXY-BETA-OXOBUTANE Acetoin (3-Hydroxy-2-butanone) acetoin, mixture of monomer and dimer |
| CAS | 513-86-0 |
| EINECS | 208-174-1 |
| InChI | InChI=1/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m0/s1 |
| InChIKey | ROWKJAVDOGWPAT-UHFFFAOYSA-N |
FEMA 2008 - Physico-chemical Properties
| Molecular Formula | C4H8O2 |
| Molar Mass | 88.11 |
| Density | 1.013g/mLat 25°C(lit.) |
| Melting Point | 15°C (monomer) |
| Boling Point | 148°C(lit.) |
| Flash Point | 123°F |
| JECFA Number | 405 |
| Water Solubility | SOLUBLE |
| Solubility | H2O: 0.1g/mL, clear |
| Vapor Presure | 86hPa at 20℃ |
| Appearance | Liquid (Monomer) or Powder or Crystals (Dimer) |
| Color | Pale yellow to green-yellow or white to yellow |
| Odor | buttery odor |
| Merck | 14,64 |
| BRN | 385636 |
| pKa | 13.21±0.20(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | n20/D 1.417(lit.) |
| Physical and Chemical Properties | Density 1.013 melting point 15°C boiling point 148°C refractive index 1.4171 flash point 50°C water SOLUBLE |
| Use | Used as pharmaceutical intermediates, edible spices, mainly used in the preparation of cream, dairy, yogurt and strawberry flavor |
FEMA 2008 - Risk and Safety
| Risk Codes | R10 - Flammable R36/38 - Irritating to eyes and skin. R38 - Irritating to the skin R11 - Highly Flammable |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | UN 2621 3/PG 3 |
| WGK Germany | 1 |
| RTECS | EL8790000 |
| TSCA | Yes |
| HS Code | 29144090 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | skn-rbt 500 mg/24H MOD CNREA8 33,3069,73 |
FEMA 2008 - Upstream Downstream Industry
| Raw Materials | butane-2,3-diol Chlorine |
FEMA 2008 - Reference Information
| FEMA | 2008 | ACETOIN |
| LogP | 0.1 at 25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | determined by gas chromatography (GT-10). A thermal conductivity detector is used. The column has a length of 1.5m and an inner diameter of 6.35mm. It is packed with 20% polyethylene glycol 20M(Carbowax 20M) and is carried on a pickled 60/80 mesh diatomite carrier, or other components that can separate diacetyl, water and methyl acetyl alcohol. The following conditions are adopted for determination: sample 2 μg; The injection temperature is about 195 ℃; The column temperature is about 130 ℃ and the detector is about 230 ℃. The flow rate of carrier gas helium is about 35ml per minute. Average retention time: diacetyl is 2min 15S, water is 3min, methyl acetyl alcohol is 12Min. The peak area of the resulting methyl acetyl alcohol shall not be less than 96.0% of the total area of all peaks. |
| toxicity | GRAS(FEMA;FDA,§ 182.60,2000). LD50 12.6 g/kg(42 days, male rat, oral). |
| usage limit | FEMA(mg.kg): soft drink 7.4; Cold drink 3.3; Candy 18; Baked goods 32; Pudding 21; Gotha cheese 7.0; |
| use | GB 2760-1996 specified as allowed edible spices. Mainly used to prepare cream, dairy, yogurt and strawberry flavors. the product has the aroma of milk, which is allowed to be used as edible spices in our country's GB2760-86 regulations. Mainly used for the preparation of cream, dairy products, yogurt and strawberries, and also used in organic synthesis. It can be used to prepare 2, 3-butanedione for the preparation of cream, dairy, yogurt and strawberry spices It is used as a pharmaceutical intermediate and edible spices, mainly used for the preparation of cream, dairy, yogurt and strawberry spices |
| Production method | is obtained by reduction of diacetyl. |
| category | combustible items |
| toxicity classification | low toxicity |
| acute toxicity | oral-rat LD50: >5000 mg/kg |
| stimulation data | skin-rabbit 500 mg/24 hours moderate |
| flammability hazard characteristics | flammable in case of open flame, high temperature and strong oxidant; Heating decomposition releases stimulating smoke |
| storage and transportation characteristics | complete packaging, light loading and unloading; warehouse ventilation, away from open flames, high temperature, separate storage from oxidant |
| fire extinguishing agent | foam, dry powder, carbon dioxide, mist water, sand |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:09
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Raw Materials for FEMA 2008