Introduction：Basic information about CAS 80-40-0|Ethyl 4-methylbenzenesulfonate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Ethyl 4-methylbenzenesulfonate |
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| CAS Number | 80-40-0 | Molecular Weight | 200.25 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 306.2±11.0 °C at 760 mmHg |
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| Molecular Formula | C9H12O3S | Melting Point | 29-33 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 157.8±0.0 °C |
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Names
| Name | Ethyl 4-Methylbenzenesulfonate |
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| Synonym | More Synonyms |
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Ethyl 4-methylbenzenesulfonate BiologicalActivity
| Description | Ethyl 4-methylbenzenesulfonate (Ethyl p-toluenesulfonate) is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 306.2±11.0 °C at 760 mmHg |
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| Melting Point | 29-33 °C(lit.) |
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| Molecular Formula | C9H12O3S |
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| Molecular Weight | 200.25 |
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| Flash Point | 157.8±0.0 °C |
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| Exact Mass | 200.050720 |
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| PSA | 51.75000 |
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| LogP | 1.83 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.513 |
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| InChIKey | VRZVPALEJCLXPR-UHFFFAOYSA-N |
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| SMILES | CCOS(=O)(=O)c1ccc(C)cc1 |
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| Water Solubility | Insoluble |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XT6825000
- CHEMICAL NAME :
- p-Toluenesulfonic acid, ethyl ester
- CAS REGISTRY NUMBER :
- 80-40-0
- BEILSTEIN REFERENCE NO. :
- 0611213
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 17
- MOLECULAR FORMULA :
- C9-H12-O3-S
- MOLECULAR WEIGHT :
- 200.27
- WISWESSER LINE NOTATION :
- 2OSWR 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 :
- 500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3250 mg/kg/65W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
- TYPE OF TEST :
- Sex chromosome loss and nondisjunction
- TYPE OF TEST :
- Sex chromosome loss and nondisjunction
MUTATION DATA - TYPE OF TEST :
- Morphological transformation
- TEST SYSTEM :
- Rodent - hamster Embryo
- DOSE/DURATION :
- 500 ug/L
- REFERENCE :
- CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 1,323,1980
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Safety Information
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R22;R36/37/38;R40 |
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| Safety Phrases | S26-S45-S36/37/39 |
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| RIDADR | UN2811 |
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| WGK Germany | 3 |
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| RTECS | XT6825000 |
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| Packaging Group | III |
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| Hazard Class | 6.1 |
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| HS Code | 29041000 |
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Customs
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Synonyms
| Benzenesulfonic acid, 4-methyl-, ethyl ester |
| ethyl p-toluenesulfonate |
| EINECS 201-276-7 |
| Ethyl 4-methylbenzenesulfonate |
| MFCD00009100 |
