Introduction：Basic information about CAS 4121-12-4|Thiodiacetic acid dibutyl ester, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Thiodiacetic acid dibutyl ester |
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| CAS Number | 4121-12-4 | Molecular Weight | 262.366 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 329.5±27.0 °C at 760 mmHg |
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| Molecular Formula | C12H22O4S | Melting Point | / |
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| MSDS | / | Flash Point | 143.3±11.7 °C |
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Names
| Name | butyl 2-(2-butoxy-2-oxoethyl)sulfanylacetate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 329.5±27.0 °C at 760 mmHg |
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| Molecular Formula | C12H22O4S |
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| Molecular Weight | 262.366 |
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| Flash Point | 143.3±11.7 °C |
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| Exact Mass | 262.123871 |
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| PSA | 77.90000 |
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| LogP | 4.44 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.471 |
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| InChIKey | RIQXZINBEMXOOE-UHFFFAOYSA-N |
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| SMILES | CCCCOC(=O)CSCC(=O)OCCCC |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AJ6828000
- CHEMICAL NAME :
- Acetic acid, thiodi-, dibutyl ester
- CAS REGISTRY NUMBER :
- 4121-12-4
- BEILSTEIN REFERENCE NO. :
- 1792468
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C12-H22-O4-S
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,15,1953
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Safety Information
Customs
| HS Code | 2930909090 |
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| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| EINECS 223-914-3 |
| Dibutyl thiodiacetate |
| 4OV1S1VO4 |
| Dibutyl 2,2'-thiodiethanoate |
| Thiodiglycollic acid dibutyl ester |
| 3-thia-glutaric acid dibutyl ester |
| Thiodiglykolsaeure-dibutylester |
| 3-Thia-glutarsaeure-dibutylester |
| Thiodiacetic acid dibutyl ester |
| dibutyl thiodiglycollate |
| Dibutyl 2,2'-sulfanediyldiacetate |
| Dibutyl 2,2'-thiobisacetate |
| Acetic acid, 2,2'-thiobis-, dibutyl ester |
| Acetic acid,thiodi-,dibutyl ester |
| Bis-butoxycarbonylmethyl-sulfid |
