Methyl isopropenyl ketone

Modify Date: 2025-08-22 19:20:49

Methyl isopropenyl ketone Structure
Methyl isopropenyl ketone structure
Common Name Methyl isopropenyl ketone
CAS Number 814-78-8 Molecular Weight 84.116
Density 0.8±0.1 g/cm3 Boiling Point 98.0±0.0 °C at 760 mmHg
Molecular Formula C5H8O Melting Point -54°C
MSDS Chinese USA Flash Point 11.0±11.9 °C

 Names

Name 3-Methyl-3-Buten-2-One
Synonym More Synonyms

 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

 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%

 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
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