Sulfide, isobutyl isopropyl
Basic information
- CAS
10359-65-6- Standard SMILES
CC(C)CSC(C)C- InChIKey
NAPBMSIZYSDRMH-UHFFFAOYSA-N- Molecular formula
- C7H16S
- Average molar mass
- 132.27 g/mol
- Monoisotopic mass
- 132.09727168
Names & identifiers
- Preferred name
- Sulfide, isobutyl isopropyl
- IUPAC
- 2-methyl-1-propan-2-ylsulfanylpropane
- English name
- iso-Butyl iso-propyl sulfide
- Molecular formula
- C7H16S
- Molecular weight
- 132.27
Names & synonyms
Sulfide, isobutyl isopropyl10359-65-61-(Isopropylsulfanyl)-2-methylpropane2,5-dimethyl-3-thiahexanePropane, 2-methyl-1-[(1-methylethyl)thio]-DTXSID10303554Propane, 2-methyl-1-((1-methylethyl)thio)-RefChem:186551DTXCID40254686NAPBMSIZYSDRMH-UHFFFAOYSA-N2-methyl-1-propan-2-ylsulfanylpropaneISO-BUTYL ISO-PROPYL SULFIDE
Show more names
ISO-PROPYL-ISO-BUTYL SULFIDE2-Methyl-1-[(1-methylethyl)thio]propane
Propane,2-methyl-1-[(1-methylethyl)thio]-NSC159036iso-Propyl-iso-butylsulfidSCHEMBL1425989SCHEMBL2965626SCHEMBL8744824SCHEMBL8744866SCHEMBL8744878
Database identifiers
- CAS
10359-65-6- PubChem CID
- 292853
- DTXSID
DTXSID10303554- EC Number
- 623-109-0
- Nikkaji
- J100.456E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 48.3
Physicochemical properties
- Boiling point
- 144 · 144-146.5 °C
- Density
- 0.832 · 0.832±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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