Methyl isopropenyl ketone
Names
[ CAS No. ]:
814-78-8
[ Name ]:
Methyl isopropenyl ketone
[Synonym ]:
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
Chemical & Physical Properties
[ Density]:
0.8±0.1 g/cm3
[ Boiling Point ]:
98.0±0.0 °C at 760 mmHg
[ Melting Point ]:
-54°C
[ Molecular Formula ]:
C5H8O
[ Molecular Weight ]:
84.116
[ Flash Point ]:
11.0±11.9 °C
[ Exact Mass ]:
84.057518
[ PSA ]:
17.07000
[ LogP ]:
0.59
[ Vapour Pressure ]:
40.7±0.1 mmHg at 25°C
[ Index of Refraction ]:
1.397
MSDS
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 DATA
ACUTE 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
Safety Information
[ Hazard Codes ]:
Xi
[ Risk Phrases ]:
R11
[ Safety Phrases ]:
16-29-33-36/37/39
[ RIDADR ]:
1246
[ WGK Germany ]:
3
[ RTECS ]:
EN0175000
[ Packaging Group ]:
II
[ Hazard Class ]:
3.1
[ HS Code ]:
2914190090
Synthetic Route
Customs
[ HS Code ]: 2914190090
[ 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%