Benzenesulfonic acid, 2-methyl-, methyl ester
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Basic information
- CAS
23373-38-8- Standard SMILES
COS(=O)(=O)c1ccccc1C- InChIKey
AXCVRQKOVCRCIX-UHFFFAOYSA-N- Molecular formula
- C8H10O3S
- Average molar mass
- 186.23 g/mol
- Monoisotopic mass
- 186.03506518
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 2-methyl-, methyl ester
- IUPAC
- methyl 2-methylbenzenesulfonate
- English name
- o-Toluenesulfonic acid, methyl ester
- Molecular formula
- C8H10O3S
- Molecular weight
- 186.23
Names & synonyms
23373-38-8Benzenesulfonic acid, 2-methyl-, methyl esterMethyl o-toluenesulfonate2-Methylbenzenesulfonic acid, methyl esterDTXSID9066885RefChem:117846DTXCID4036853AXCVRQKOVCRCIX-UHFFFAOYSA-NMethyl 2-methylbenzenesulfonate28804-47-9Benzenesulfonic acid, methyl-, methyl esterMethyl toluenesulfonate(mixture of isomers)
Show more names
RMA02495o-Toluenesulfonic acid, methyl ester2-methyl-benzenesulfonic aci methyl ester
methyl 2-methylbenzene-1-sulfonateBenzenesulfonic acid,methyl-, methyl esterSCHEMBL260819SCHEMBL3396632SCHEMBL7737495SCHEMBL31244372Methyl 2-methylbenzenesulfonate #NS00047564
Database identifiers
- CAS
23373-38-8、28804-47-9- PubChem CID
- 90076
- DTXSID
DTXSID9066885- EC Number
- 249-237-3
- Nikkaji
- J129.043F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 289.2 · 289.2±19.0 °C(Predicted)
- Density
- 1.21 · 1.210±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · Benzenesulfonic acid, 2-methyl-, methyl ester (23373-38-8)
- TSCA
- TSCA listed
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 0.6% (1 of 178) of reports.
Danger
H302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 178 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenesulfonic acid, 2-methyl-, methyl ester
Chemical: Benzenesulfonic acid, methyl-, methyl ester
Benzenesulfonic acid, 2-methyl-, methyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (98.3%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2-methyl-, methyl ester: ACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
11 records
Compound notes
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