Introduction：Basic information about CAS 814-78-8|Methyl isopropenyl ketone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Methyl isopropenyl ketone |
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| CAS Number | 814-78-8 | Molecular Weight | 84.116 |
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| Density | 0.8±0.1 g/cm3 | Boiling Point | 98.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C5H8O | Melting Point | -54°C |
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| MSDS | ChineseUSA | Flash Point | 11.0±11.9 °C |
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Names
| Name | 3-Methyl-3-Buten-2-One |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.8±0.1 g/cm3 |
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| Boiling Point | 98.0±0.0 °C at 760 mmHg |
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| Melting Point | -54°C |
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| Molecular Formula | C5H8O |
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| Molecular Weight | 84.116 |
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| Flash Point | 11.0±11.9 °C |
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| Exact Mass | 84.057518 |
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| PSA | 17.07000 |
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| LogP | 0.59 |
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| Vapour Pressure | 40.7±0.1 mmHg at 25°C |
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| Index of Refraction | 1.397 |
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| InChIKey | ZGHFDIIVVIFNPS-UHFFFAOYSA-N |
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| SMILES | C=C(C)C(C)=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EN0175000
- CHEMICAL NAME :
- 3-Buten-2-one, 3-methyl-
- CAS REGISTRY NUMBER :
- 814-78-8
- BEILSTEIN REFERENCE NO. :
- 1071241
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C5-H8-O
- MOLECULAR WEIGHT :
- 84.13
- WISWESSER LINE NOTATION :
- 1VY1&U1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 125 ppm/4H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 490 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ZolH## Personal Communication from H. Zollner, Institut fur Biochemie, Der Universitat, Gras, Oct. 23, 1975 Volume(issue)/page/year: 23OCT1975
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 230 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951
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Safety Information
| Hazard Codes | Xi |
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| Risk Phrases | R11 |
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| Safety Phrases | 16-29-33-36/37/39 |
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| RIDADR | 1246 |
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| WGK Germany | 3 |
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| RTECS | EN0175000 |
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| Packaging Group | II |
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| Hazard Class | 3.1 |
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| HS Code | 2914190090 |
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Customs
| HS Code | 2914190090 |
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| Summary | 2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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Synonyms
| 2-Methyl-1-butene-3-one |
| 3-Methylbut-3-en-2-one |
| MFCD00059207 |
| 3-Buten-2-one, 3-methyl- |
| Isopropenyl methyl ketone |
| EINECS 212-405-1 |
| 3-Methyl-3-buten-2-one |
| UNII-F64867GQVB |
| 3-Methyl-3-butene-2-one |
