Introduction:Basic information about CAS 16587-71-6|4-tert-pentylcyclohexanone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-tert-pentylcyclohexanone |
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| CAS Number | 16587-71-6 | Molecular Weight | 168.27600 |
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| Density | 0.92 | Boiling Point | 124-125°C 16mm |
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| Molecular Formula | C11H20O | Melting Point | 96°C |
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| MSDS | / | Flash Point | 124-125°C/16mm |
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Names
| Name | 4-(2-methylbutan-2-yl)cyclohexan-1-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.92 |
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| Boiling Point | 124-125°C 16mm |
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| Melting Point | 96°C |
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| Molecular Formula | C11H20O |
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| Molecular Weight | 168.27600 |
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| Flash Point | 124-125°C/16mm |
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| Exact Mass | 168.15100 |
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| PSA | 17.07000 |
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| LogP | 3.18190 |
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| Vapour Pressure | 0.0649mmHg at 25°C |
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| Index of Refraction | 1.4690 |
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| InChIKey | DCSKAMGZSIRJAQ-UHFFFAOYSA-N |
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| SMILES | CCC(C)(C)C1CCC(=O)CC1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- GW1960000
- CHEMICAL NAME :
- Cyclohexanone, 4-tert-pentyl-
- CAS REGISTRY NUMBER :
- 16587-71-6
- BEILSTEIN REFERENCE NO. :
- 2240475
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C11-H20-O
- MOLECULAR WEIGHT :
- 168.31
- WISWESSER LINE NOTATION :
- L6VTJ DX2&1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,819,1974 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4700 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,819,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 4700 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,819,1974
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Safety Information
| Risk Phrases | R36/38 |
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| Safety Phrases | S26-S36/37/39 |
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| RTECS | GW1960000 |
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| HS Code | 2914299000 |
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Customs
| HS Code | 2914299000 |
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| Summary | 2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
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Synonyms
| 4-t-pentylcyclohexanone |
| EINECS 240-642-0 |
| MFCD00013798 |
| 4-TERT-PENTYLCYCLOHEXANONE |
| 4-tert-Amylcyclohexanone |
| p-t-amyl cyclohexanone |
| 4-(tert-Pentyl)cyclohexanone |
| CYCLOHEXANONE,4-tert-PENTYL |
| 4-(TERT.-PENTYL)-CYCLOHEXANONE |