Basic information
- CAS
4253-90-1- Standard SMILES
CC(C)(C)SSSC(C)(C)C- InChIKey
NYLJHRUQFXQNPN-UHFFFAOYSA-N- Molecular formula
- C8H18S3
- Average molar mass
- 210.4 g/mol
- Monoisotopic mass
- 210.05706409
Names & identifiers
- Preferred name
- Di-tert-butyl trisulphide
- IUPAC
- 2-(tert-butyltrisulfanyl)-2-methylpropane
- English name
- di-tert-butyl trisulphide
- Molecular formula
- C8H18S3
- Molecular weight
- 210.42
Names & synonyms
Trisulfide, bis(1,1-dimethylethyl)Di-tert-butyl trisulphideEINECS 224-226-6tert-Butyl trisulfideDTXSID9073339RefChem:586113DTXCID5040128224-226-64253-90-1Di-t-butyl trisulfide2-(tert-butyltrisulfanyl)-2-methylpropaneDI-TERT-BUTYLTRISULFANE
Show more names
Di-tert-butyl trisulfideDi-tert-butyl pertrisulfide
Di-tert.-butyltrisulfid1,3-Ditert-butyltrisulfane #SCHEMBL5812338NS000478482-tert-butylsulfanyldisulfanyl-2-methylpropane
Database identifiers
- CAS
4253-90-1- PubChem CID
- 77933
- DTXSID
DTXSID9073339- EC Number
- 224-226-6
- Nikkaji
- J80.776A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 93.5
Physicochemical properties
- Melting point
- 17.028 °C · 17.028 °C
- Boiling point
- 185 · 185-190 °C(Press: 5 Torr)
- Density
- 0.991 g/cm3 · 0.991 g/cm3(Temp: 60 °C)
- EPA Substance Registry System
- Trisulfide, bis(1,1-dimethylethyl) (4253-90-1)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
- REACH Registrations
- Active
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Di-tert-butyl trisulphide (EC: 224-226-6)
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H410-H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
Chemistry & industry
Suppliers1 total
舟山广兴化学有限公司15698059122 15698059122 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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