Di-sec-butyl sulphide
Basic information
- CAS
626-26-6- Standard SMILES
CCC(C)SC(C)CC- InChIKey
IEBAOPMEYUWQPD-UHFFFAOYSA-N- Molecular formula
- C8H18S
- Average molar mass
- 146.3 g/mol
- Monoisotopic mass
- 146.11292158
Names & identifiers
- Preferred name
- Di-sec-butyl sulphide
- IUPAC
- 2-butan-2-ylsulfanylbutane
- English name
- Di-sec-butyl sulfide
- Molecular formula
- C8H18S
- Molecular weight
- 146.29
Names & synonyms
626-26-6Di-sec-butyl sulfideDi-sec-butyl sulphideEINECS 210-938-4DTXSID00870720RefChem:586075DTXCID10818416210-938-4sec-Butyl SulfideDi-sec-butylsulfide2-butan-2-ylsulfanylbutaneButane, 2,2'-thiobis-
Show more names
Di-Sec-butyl sufide2-(sec-Butylthio)butane
MFCD00009332sec-Butyl Sulfide 98%2-Sec-butylsulfanylbutane2-(butan-2-ylsulfanyl)butaneCTK5B5409di-s-butyl sulfideButane,2-[(1-methylpropyl)thio]-Di-sec-Butyl thioether
Database identifiers
- CAS
626-26-6- PubChem CID
- 522065
- DTXSID
DTXSID00870720- EC Number
- 210-938-4
- Nikkaji
- J103.159G
Properties
Computed structural properties
- XLogP
- 3.5
- 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
- 53.6
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -62.18 °C · -62.18°C (estimate)
- Boiling point
- 165 °C · 165 °C (lit.)
- Density
- 0.839 g/mL · 0.839 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.45(lit.)
- Flash point
- 103 °F · 103 °F
- form
- clear liquid
- color
- Colorless to Almost colorless
- Odor Threshold
- 0.000021 ppm · 0.000021ppm
- InChI
- 1S/C8H18S/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3
- InChIKey
- IEBAOPMEYUWQPD-UHFFFAOYSA-N
- SMILES
- CCC(C)SC(C)CC
- UNSPSC Code
- 12352100 · 12352100
- NACRES
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 41 reports by companies from 4 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
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 2930.90.9250
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 16-26-27-36/37/39
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
Chemistry & industry
Applications
Usessec-Butyl sulfide was used in the determination of dialkyl sulfides using novel micropacked column prepared from the slurry of bis[1,2-bis(4-n-undecyloxyphenyl)ethane-1,2-dithiolene]nickel(II) coated on chromosorb W by micropacked gas chromatography.
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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