Introduction：Basic information about CAS 6947-81-5|Benzenebutanoic acid,4-(1-methylethyl)-g-oxo-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Benzenebutanoic acid,4-(1-methylethyl)-g-oxo- |
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| CAS Number | 6947-81-5 | Molecular Weight | 220.26400 |
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| Density | 1.108g/cm3 | Boiling Point | 400.1ºC at 760 mmHg |
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| Molecular Formula | C13H16O3 | Melting Point | / |
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| MSDS | / | Flash Point | 209.9ºC |
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Names
| Name | 4-oxo-4-(4-propan-2-ylphenyl)butanoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.108g/cm3 |
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| Boiling Point | 400.1ºC at 760 mmHg |
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| Molecular Formula | C13H16O3 |
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| Molecular Weight | 220.26400 |
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| Flash Point | 209.9ºC |
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| Exact Mass | 220.11000 |
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| PSA | 54.37000 |
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| LogP | 2.85750 |
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| Index of Refraction | 1.529 |
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| InChIKey | CRTBQADLERFRSD-UHFFFAOYSA-N |
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| SMILES | CC(C)c1ccc(C(=O)CCC(=O)O)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CY9053150
- CHEMICAL NAME :
- Benzenebutanoic acid, 4-(1-methylethyl)-gamma-oxo-
- CAS REGISTRY NUMBER :
- 6947-81-5
- BEILSTEIN REFERENCE NO. :
- 3032364
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H16-O3
- MOLECULAR WEIGHT :
- 220.29
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,1360,1974
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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
| 4-Oxo-4-p-cumenyl-buttersaeure |
| CB 830 |
