Introduction：Basic information about CAS 6947-02-0|Butanoic acid, 3-oxo-,cyclohexyl ester, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Butanoic acid, 3-oxo-,cyclohexyl ester |
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| CAS Number | 6947-02-0 | Molecular Weight | 184.23200 |
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| Density | 1.04g/cm3 | Boiling Point | 258.2ºC at 760 mmHg |
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| Molecular Formula | C10H16O3 | Melting Point | / |
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| MSDS | / | Flash Point | 107.7ºC |
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Names
| Name | cyclohexyl 3-oxobutanoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.04g/cm3 |
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| Boiling Point | 258.2ºC at 760 mmHg |
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| Molecular Formula | C10H16O3 |
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| Molecular Weight | 184.23200 |
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| Flash Point | 107.7ºC |
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| Exact Mass | 184.11000 |
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| PSA | 43.37000 |
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| LogP | 1.84140 |
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| Index of Refraction | 1.459 |
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| InChIKey | GJOSRMAVDXJBCZ-UHFFFAOYSA-N |
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| SMILES | CC(=O)CC(=O)OC1CCCCC1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AK5150000
- CHEMICAL NAME :
- Acetoacetic acid, cyclohexyl ester
- CAS REGISTRY NUMBER :
- 6947-02-0
- BEILSTEIN REFERENCE NO. :
- 1950710
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C10-H16-O3
- MOLECULAR WEIGHT :
- 184.26
- WISWESSER LINE NOTATION :
- L6TJ AOV1V1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 7200 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >10 mL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 360 mL/kg/13W-I
- TOXIC EFFECTS :
- Behavioral - muscle weakness Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948
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Safety Information
Customs
| HS Code | 2918300090 |
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| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
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Synonyms
| Cyclohexylacetonacetate |
| Acetessigsaeure-cyclohexylester |
| cyclohexane acetoacetate |
| cyclohexyl-3-oxo butanoate |
| ACETOACETIC ACID,CYCLOHEXYL ESTER |
| Cyclohexyl-acetoacetat |
| EINECS 230-111-1 |
| Cyclohexyl acetoacetate |
