4-Methylcyclohexanone
Suppliers
Names
[ CAS No. ]:
589-92-4
[ Name ]:
4-Methylcyclohexanone
[Synonym ]:
Cyclohexanone, 4-methyl-
5L6VTJ D1
4-Methylcyclohexanone
4-methylcyclohexan-1-one
EINECS 209-665-3
MFCD00001643
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
MSDS
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
[ 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
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 29142200
Articles
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....