Introduction:Basic information about CAS 471-01-2|3,5,5-trimethylcyclohex-3-en-1-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,5,5-trimethylcyclohex-3-en-1-one |
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| CAS Number | 471-01-2 | Molecular Weight | 138.20700 |
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| Density | 0.905g/cm3 | Boiling Point | 189.2ºC at 760mmHg |
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| Molecular Formula | C9H14O | Melting Point | / |
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| MSDS | / | Flash Point | 64.2ºC |
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Names
| Name | 3,5,5-trimethylcyclohex-3-en-1-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.905g/cm3 |
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| Boiling Point | 189.2ºC at 760mmHg |
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| Molecular Formula | C9H14O |
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| Molecular Weight | 138.20700 |
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| Flash Point | 64.2ºC |
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| Exact Mass | 138.10400 |
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| PSA | 17.07000 |
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| LogP | 2.32180 |
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| Vapour Pressure | 0.578mmHg at 25°C |
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| Index of Refraction | 1.455 |
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| InChIKey | LKOKKQDYMZUSCG-UHFFFAOYSA-N |
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| SMILES | CC1=CC(C)(C)CC(=O)C1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- GW7800000
- CHEMICAL NAME :
- 3-Cyclohexen-1-one, 3,5,5-trimethyl-
- CAS REGISTRY NUMBER :
- 471-01-2
- LAST UPDATED :
- 199703
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C9-H14-O
- MOLECULAR WEIGHT :
- 138.23
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0521606
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0521606 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2950 mg/kg
- TOXIC EFFECTS :
- Brain and Coverings - recordings from specific areas of CNS Gastrointestinal - other changes Liver - other changes
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0521606
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Synonyms
| 3,3,5-trimethyl-cyclohex-4-en-1-one |
| 3,5,5-TRIMETHYL-3-CYCLOHEXEN-1-ONE |
| 3,5,5-trimethylcyclohexa-3-en-1-one |
| 3-Cyclohexen-1-one,3,5,5-trimethyl |
| 3,5,5-trimethylcyclohexa-3-en-one |
| trimethyl-3,5,5 cyclohexene-3 one-1 |
| 3,5,5-Trimethyl-3-cyclohexen-1-one |
| EINECS 207-434-1 |