Basic information
- CAS
4032-80-8- Standard SMILES
Cc1ccccc1SSc1ccccc1C- InChIKey
ZSSCTTQONPHGRA-UHFFFAOYSA-N- Molecular formula
- C14H14S2
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.05369279
Names & identifiers
- Preferred name
- Bis(2-methylphenyl) disulfide
- IUPAC
- 1-methyl-2-[(2-methylphenyl)disulfanyl]benzene
- English name
- di-o-tolyl disulphide
- Molecular formula
- C14H14S2
- Molecular weight
- 246.39
Names & synonyms
4032-80-8o-Tolyl disulfideDisulfide, bis(2-methylphenyl)Di-o-tolyl disulfideBis(2-methylphenyl) disulfideBis(o-tolyl)disulfideortho-cresyl disulfideEINECS 223-715-1NSC 158725NSC-158725AI3-26889DTXSID6063274
Show more names
Di-o-tolyl persulfideDi(o-tolyl) persulfideBis(2-methylphenyl) persulfide1,1'-Dithiobis(2-methylbenzene)
FEMA NO. 4576030186257W2,2'-DIMETHYLDIPHENYL DISULFIDERefChem:568797DTXCID70397531-methyl-2-[(2-methylphenyl)disulfanyl]benzeneDi-o-tolyl disulphideNSC158725
Database identifiers
- CAS
4032-80-8、61886-58-6- PubChem CID
- 77652
- DTXSID
DTXSID6063274- ChEMBL
CHEMBL120618- UNII
- 030186257W
- EC Number
- 223-715-1、263-295-7
- Nikkaji
- J141.602B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 183
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Physical DescriptionSolid; Burnt sugar aroma
Physicochemical properties
- Melting point
- 38 · 38-39 °C
- Boiling point
- 122 °C · 122 °C(Press: 0.2 Torr)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- FEMA
- 4576 · 4576 | BIS(2-METHYLPHENYL) DISULFIDE
- Odor
- burnt sugar
- Odor Type
- sugar
- JECFA Number
- 1931 · 1931
- LogP
- 5.33 · 5.33
- Substances Added to Food (formerly EAFUS)
- BIS(2-METHYLPHENYL) DISULFIDE
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationDisulfide, bis(2-methylphenyl): INACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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