Introduction：Basic information about CAS 591-60-6|Butanoic acid, 3-oxo-,butyl ester, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Butanoic acid, 3-oxo-,butyl ester |
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| CAS Number | 591-60-6 | Molecular Weight | 158.19500 |
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| Density | 0.98 | Boiling Point | 206ºC at 760mmHg |
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| Molecular Formula | C8H14O3 | Melting Point | 230-234 °C (dec.)(lit.) |
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| MSDS | USA | Flash Point | 85 °C |
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Names
| Name | butyl 3-oxobutanoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.98 |
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| Boiling Point | 206ºC at 760mmHg |
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| Melting Point | 230-234 °C (dec.)(lit.) |
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| Molecular Formula | C8H14O3 |
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| Molecular Weight | 158.19500 |
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| Flash Point | 85 °C |
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| Exact Mass | 158.09400 |
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| PSA | 43.37000 |
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| LogP | 1.30880 |
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| Index of Refraction | 1.421 |
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| InChIKey | REIYHFWZISXFKU-UHFFFAOYSA-N |
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| SMILES | CCCCOC(=O)CC(C)=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AK5100000
- CHEMICAL NAME :
- Acetoacetic acid, butyl ester
- CAS REGISTRY NUMBER :
- 591-60-6
- BEILSTEIN REFERENCE NO. :
- 1761408
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C8-H14-O3
- MOLECULAR WEIGHT :
- 158.22
- WISWESSER LINE NOTATION :
- 4OV1V1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,729,1986 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 11260 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954
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Safety Information
| WGK Germany | 3 |
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| RTECS | AK5100000 |
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| HS Code | 2918300090 |
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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
| Butyl acetoacetate |
| ethyl-2-ethyl acetoacetate |
| FEMA No. 2176 |
| Butanoic acid,3-oxo-,butyl ester |
| Butyl 3-ketobutanoate |
| Butyl 3-ketobutyrate |
| n-butyl acetoacetate |
| acetoacetic acid butyl ester |
| EINECS 209-722-2 |
| 1-butyl acetoacetate |
| Butyl 3-oxobutyrate |
| 3-oxobutyric acid n-butyl ester |
| acetoacetic acid n-butyl ester |
