Butyl tert-butyl sulfide
Basic information
- CAS
926-47-6- Standard SMILES
CCCCSC(C)(C)C- InChIKey
XRYKNXGXIFPTKH-UHFFFAOYSA-N- Molecular formula
- C8H18S
- Average molar mass
- 146.3 g/mol
- Monoisotopic mass
- 146.11292175
Names & identifiers
- Preferred name
- Butyl tert-butyl sulfide
- IUPAC
- 1-tert-butylsulfanylbutane
- English name
- Butyl tert-butyl sulfide
- Molecular formula
- C8H18S
- Molecular weight
- 146.29
Names & synonyms
Butyl tert-butyl sulfide926-47-6RefChem:331069620-923-8XRYKNXGXIFPTKH-UHFFFAOYSA-N1-(tert-butylsulfanyl)butanet-butyl(butyl)sulfideButane, 1-[(1,1-dimethylethyl)thio]-1-(tert-butylthio)butaneSCHEMBL2975615SCHEMBL8731117SCHEMBL8744838
Show more names
SCHEMBL8744924SCHEMBL8744979DTXSID00402868AKOS024334031
Database identifiers
- CAS
926-47-6- PubChem CID
- 4401495
- DTXSID
DTXSID00402868- EC Number
- 620-923-8
- Nikkaji
- J2.131.958I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 61.5
Physicochemical properties
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H226-H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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