4-Methylcyclohexanone

Modify Date: 2024-01-01 21:01:55

4-Methylcyclohexanone Structure
4-Methylcyclohexanone structure
Common Name 4-Methylcyclohexanone
CAS Number 589-92-4 Molecular Weight 112.170
Density 0.9±0.1 g/cm3 Boiling Point 170.0±0.0 °C at 760 mmHg
Molecular Formula C7H12O Melting Point -41 °C
MSDS Chinese USA Flash Point 40.6±0.0 °C
Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning

 Names

Name 4-Methylcyclohexanone
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 170.0±0.0 °C at 760 mmHg
Melting Point -41 °C
Molecular Formula C7H12O
Molecular Weight 112.170
Flash Point 40.6±0.0 °C
Exact Mass 112.088814
PSA 17.07000
LogP 1.25
Vapour Pressure 1.5±0.3 mmHg at 25°C
Index of Refraction 1.442
Storage condition Flammables area

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GW1750200
CHEMICAL NAME :
Cyclohexanone, 4-methyl-
CAS REGISTRY NUMBER :
589-92-4
BEILSTEIN REFERENCE NO. :
0506746
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C7-H12-O

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 :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4783,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4783,1982
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
370 mg/kg
TOXIC EFFECTS :
Cardiac - change in rate Vascular - BP lowering not characterized in autonomic section
REFERENCE :
COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. (Paris, France) V.1-261, 1835-1965. For publisher information, see CRASEV. Volume(issue)/page/year: 236,633,1953

 Safety Information

Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning
Hazard Statements H226-H302
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn:Harmful;
Risk Phrases R10;R20/21/22
Safety Phrases S16-S36-S36/37-S23
RIDADR UN 2297 3/PG 3
WGK Germany 1
RTECS GW1750200
Packaging Group III
Hazard Class 3
HS Code 29142200

 Synthetic Route

 Customs

HS Code 29142200

 Articles1

More Articles
A concise total synthesis of (+/-)-acutifolone A.

Org. Biomol. Chem. 7(16) , 3285-90, (2009)

Starting from 4-methylcyclohexanone (7), a concise total synthesis of the pinguisane-type sesquiterpenoid acutifolone A, in racemic form, has been accomplished in 14 steps with an overall yield of 14....

 Synonyms

Cyclohexanone, 4-methyl-
5L6VTJ D1
4-Methylcyclohexanone
4-methylcyclohexan-1-one
EINECS 209-665-3
MFCD00001643
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