Basic information
- CAS
59222-96-7- Standard SMILES
CCOS(=O)(=O)c1ccccc1C- InChIKey
LQCJGDKXBVRTKR-UHFFFAOYSA-N- Molecular formula
- C9H12O3S
- Average molar mass
- 200.26 g/mol
- Monoisotopic mass
- 200.05071541
Names & identifiers
- Preferred name
- Ethyl o-toluenesulphonate
- IUPAC
- ethyl 2-methylbenzenesulfonate
- English name
- ethyl o-toluenesulphonate
- Molecular formula
- C9H12O3S
- Molecular weight
- 200.25
Names & synonyms
Ethyl o-toluenesulphonate59222-96-7Benzenesulfonic acid, 2-methyl-, ethyl esterEINECS 261-666-8RefChem:596342261-666-8Ethyl 2-methylbenzenesulfonateEthyl 2-methylbenzene-1-sulfonateEthyl2-methylbenzenesulfonateSCHEMBL582357SCHEMBL6178321SCHEMBL9309192
Show more names
RMA024932-Methylbenzenesulfonic acid ethyl ester
Ethyl 2-methylbenzenesulfonate #DTXSID40974650DB-308084NS00055475G30212EN300-1693854
Database identifiers
- CAS
59222-96-7- PubChem CID
- 100987
- DTXSID
DTXSID40974650- EC Number
- 261-666-8
- Nikkaji
- J308.649F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Benzenesulfonic acid, 2-methyl-, ethyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京唯博特医药科技有限公司18066048793 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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