Introduction：Basic information about CAS 778-28-9|Butyl 4-methylbenzenesulfonate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Butyl 4-methylbenzenesulfonate |
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| CAS Number | 778-28-9 | Molecular Weight | 228.308 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 335.4±11.0 °C at 760 mmHg |
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| Molecular Formula | C11H16O3S | Melting Point | / |
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| MSDS | / | Flash Point | 156.6±19.3 °C |
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Names
| Name | Butyl p-toluenesulfonate |
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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 | 335.4±11.0 °C at 760 mmHg |
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| Molecular Formula | C11H16O3S |
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| Molecular Weight | 228.308 |
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| Flash Point | 156.6±19.3 °C |
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| Exact Mass | 228.082016 |
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| PSA | 51.75000 |
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| LogP | 2.89 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.506 |
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| InChIKey | QYJXDIUNDMRLAO-UHFFFAOYSA-N |
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| SMILES | CCCCOS(=O)(=O)c1ccc(C)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XT6400000
- CHEMICAL NAME :
- p-Toluenesulfonic acid, butyl ester
- CAS REGISTRY NUMBER :
- 778-28-9
- BEILSTEIN REFERENCE NO. :
- 1428508
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C11-H16-O3-S
- MOLECULAR WEIGHT :
- 228.33
- WISWESSER LINE NOTATION :
- 4OSWR D1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ZEKBAI Zeitschrift fuer Krebsforschung. (Berlin, Fed. Rep. Ger.) V.1-75, 1903-71. For publisher information, see JCROD7. Volume(issue)/page/year: 74,241,1970
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 2,303,1950
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 320 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01764
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Safety Information
| Hazard Codes | Xn |
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| Risk Phrases | 36/37/38-22 |
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| Safety Phrases | S37/39-S26 |
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| RTECS | XT6400000 |
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Synonyms
| Benzenesulfonic acid, 4-methyl-, butyl ester |
| Butyl 4-methylbenzenesulfonate |
| EINECS 212-295-5 |
| MFCD00027203 |
