CAS 513-86-0|Acetoin
Introduction：Basic information about CAS 513-86-0|Acetoin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Acetoin | ||
|---|---|---|---|
| CAS Number | 513-86-0 | Molecular Weight | 88.105 |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 145.4±8.0 °C at 760 mmHg |
| Molecular Formula | C4H8O2 | Melting Point | 15 °C (monomer) |
| MSDS | ChineseUSA | Flash Point | 49.7±11.0 °C |
| Symbol | GHS02, GHS07 | Signal Word | Warning |
Names
| Name | acetoin |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 145.4±8.0 °C at 760 mmHg |
| Melting Point | 15 °C (monomer) |
| Molecular Formula | C4H8O2 |
| Molecular Weight | 88.105 |
| Flash Point | 49.7±11.0 °C |
| Exact Mass | 88.052429 |
| PSA | 37.30000 |
| LogP | -0.43 |
| Vapour Pressure | 1.9±0.6 mmHg at 25°C |
| Index of Refraction | 1.408 |
| InChIKey | ROWKJAVDOGWPAT-UHFFFAOYSA-N |
| SMILES | CC(=O)C(C)O |
| Water Solubility | SOLUBLE |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,509,1979 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,509,1979
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 14 gm/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,509,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,509,1979 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 66 gm/kg/13W-C
- TOXIC EFFECTS :
- Liver - changes in liver weight Blood - normocytic anemia Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 10,131,1972 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 12600 mg/kg
- SEX/DURATION :
- male 42 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 10,131,1972
Safety Information
| Symbol | GHS02, GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H226-H315-H319 |
| Precautionary Statements | P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard Codes | Xi:Irritant |
| Risk Phrases | R10;R36/38 |
| Safety Phrases | S26-S36-S36/37 |
| RIDADR | UN 2621 3/PG 3 |
| WGK Germany | 1 |
| RTECS | EL8790000 |
| Packaging Group | III |
| Hazard Class | 3 |
| HS Code | 2914400090 |
Customs
| HS Code | 2914400090 |
|---|---|
| Summary | 2914400090 other ketone-alcohols and ketone-aldehydes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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Synonyms
| 1-ethoxy-2-methyl-1-methylselanyl-propene |
| Dimethylketol |
| Acetylmethylcarbinol (May exist as crystalline dimer) |
| 3-hydroxy-2-oxobutane |
| EINECS 208-174-1 |
| Acetoin |
| 3-Hydroxybutan-2-one |
| QY1&V1 |
| 2-Butanone, 3-hydroxy- |
| 2-hydroxybutan-3-one |
| 3-Hydroxy-2-butanone |
| dimethylketene O-ethyl Se-methyl selenoacetal |
| acetylmethylcarbino |
| Acetoin (May exist as crystalline dimer) |
| MFCD00004521 |
| Acetyl methyl carbinol |
