Introduction：Basic information about CAS 80-18-2|Methyl benzenesulfonate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Methyl benzenesulfonate |
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| CAS Number | 80-18-2 | Molecular Weight | 172.202 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 269.1±9.0 °C at 760 mmHg |
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| Molecular Formula | C7H8O3S | Melting Point | -4 °C |
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| MSDS | / | Flash Point | 116.6±18.7 °C |
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Names
| Name | Methyl benzenesulfonate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 269.1±9.0 °C at 760 mmHg |
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| Melting Point | -4 °C |
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| Molecular Formula | C7H8O3S |
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| Molecular Weight | 172.202 |
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| Flash Point | 116.6±18.7 °C |
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| Exact Mass | 172.019409 |
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| PSA | 51.75000 |
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| LogP | 0.84 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.522 |
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| InChIKey | CZXGXYBOQYQXQD-UHFFFAOYSA-N |
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| SMILES | COS(=O)(=O)c1ccccc1 |
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| Storage condition | Refrigerator |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DB7151000
- CHEMICAL NAME :
- Benzenesulfonic acid, methyl ester
- CAS REGISTRY NUMBER :
- 80-18-2
- BEILSTEIN REFERENCE NO. :
- 0908448
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C7-H8-O3-S
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 740 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(1),82,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(1),82,1986 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2400 mg/kg/30D-I
- TOXIC EFFECTS :
- Liver - liver function tests impaired
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(1),82,1986
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Safety Information
| Hazard Codes | C:Corrosive |
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| Risk Phrases | R22;R34 |
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| Safety Phrases | S28A-S26 |
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| RIDADR | 3265 |
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| RTECS | DB7151000 |
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| Packaging Group | III |
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| Hazard Class | 8 |
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| HS Code | 2916399090 |
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Customs
| HS Code | 2916399090 |
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| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| benzenesulphonic acid methyl ester |
| MFCD00014737 |
| Methyl benzenesulfonate |
| methyl benzene-sulfonate |
| Methyl toluene-p-sulfonate |
| Benzenesulfonic acid, methyl ester |
| methyl benzenesulphonate |
| EINECS 201-256-8 |
| Benzenesulfonic acid,methyl ester |
