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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 18521Generated: October 24, 2026

p-Tolyl methyl sulfone

1-METHANESULFONYL-4-METHYL-BENZENE · 4-misyl toluene · 4-Tolylmethylsulfone · 1-Methyl-4-(methylsu · p-Tolyl methyl sulfone · Methyl 4-tolyl sulfone · METHYL P-TOLYL SULFONE · Methyl P-Tosyl Sulfone

https://huagongshe.com/en/chemical/18521

p-Tolyl methyl sulfone molecular structure

Identifiers & Physical Properties

CAS No.3185-99-7
Molecular formulaC8H10O2S
Average molar mass170.23 g/mol
Monoisotopic mass170.04015056 g/mol
SMILESCc1ccc(S(C)(=O)=O)cc1
InChIKeyYYDNBUBMBZRNQQ-UHFFFAOYSA-N
PubChem CID18521
ChEMBLCHEMBL1088935
ChEBICHEBI:234046
EC No.221-682-8
DTXSIDDTXSID6075229

Chemical & Physical Properties

XLogP2.2
Topological polar surface area42.5
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds1
Heavy atoms11
Formal charge0
Complexity205
Chemical classesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesDiamagnetic susceptibility
Physical DescriptionSolid[Sigma-Aldrich MSDS]
Melting point85-89 °C(lit.)
Boiling point140 °C / 3mmHg
Density1.2238 (rough estimate)
Refractive index1.5320 (estimate)
Storage conditionsSealed in dry,Room Temperature
Physical statepowder to crystal
ColorWhite to Almost white
BRN607296
InChIInChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3
InChIKeyYYDNBUBMBZRNQQ-UHFFFAOYSA-N
SMILESC1(C)=CC=C(S(C)(=O)=O)C=C1
CAS DataBase Reference3185-99-7(CAS DataBase Reference)
FDA UNIITG77SM513A
NIST Chemistry ReferenceBenzene, 1-methyl-4-(methylsulfonyl)-(3185-99-7)
EPA Substance Registry SystemBenzene, 1-methyl-4-(methylsulfonyl)- (3185-99-7)
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS05,GHS07
Signal wordDanger
GHS hazard statementsH302-H315-H318-H335
GHS precautionary statementsP280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Target organsRespiratory system
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Gloves
Hazard symbolsXn,F
Risk statements (R)22-37/38-41
Safety statements (S)26-36-24/25
Water hazard class (WGK)1
Hazard classIRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Customs code29309090
Storage class11 - Combustible Solids

Safety & Regulations

GHS classificationThis chemical does not meet GHS hazard criteria for 11.4% (5 of 44) of reports.DangerH302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazards summaryAn irritant that may cause serious eye injuryHarmful by ingestion[Sigma-Aldrich MSDS] See Diphenyl sulfone. See Dipropyl sulfone.
Hazard Classes and CategoriesAcute Tox. 4 (88.6%)
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK)1
Customs code29309090
Risk statements (R)22-37/38-41
Signal wordDanger
GHS pictogramGHS05,GHS07
Hazard symbolsXn,F
Safety statements (S)26-36-24/25
Hazard classIRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Storage class11 - Combustible Solids
Target organsRespiratory system
GHS hazard statementsH302-H315-H318-H335
GHS precautionary statementsP280-P301+P312+P330-P302+P352-P305+P351+P338+P310