Introduction:Basic information about CAS 589-92-4|4-Methylcyclohexanone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Methylcyclohexanone |
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| CAS Number | 589-92-4 | Molecular Weight | 112.170 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 170.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C7H12O | Melting Point | -41 °C |
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| MSDS | ChineseUSA | Flash Point | 40.6±0.0 °C |
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| Symbol | GHS02, GHS07 | Signal Word | Warning |
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Names
| Name | 4-Methylcyclohexanone |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 170.0±0.0 °C at 760 mmHg |
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| Melting Point | -41 °C |
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| Molecular Formula | C7H12O |
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| Molecular Weight | 112.170 |
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| Flash Point | 40.6±0.0 °C |
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| Exact Mass | 112.088814 |
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| PSA | 17.07000 |
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| LogP | 1.25 |
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| Vapour Pressure | 1.5±0.3 mmHg at 25°C |
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| Index of Refraction | 1.442 |
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| InChIKey | VGVHNLRUAMRIEW-UHFFFAOYSA-N |
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| SMILES | CC1CCC(=O)CC1 |
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| Storage condition | Flammables area |
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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 DATAACUTE 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
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Safety Information
| Symbol | GHS02, GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H226-H302 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R10;R20/21/22 |
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| Safety Phrases | S16-S36-S36/37-S23 |
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| RIDADR | UN 2297 3/PG 3 |
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| WGK Germany | 1 |
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| RTECS | GW1750200 |
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| Packaging Group | III |
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| Hazard Class | 3 |
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| HS Code | 29142200 |
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Customs
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 |