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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%


Related Compounds