2-Methyl-2-methylsulfanylpropane
Basic information
- CAS
6163-64-0- Standard SMILES
CSC(C)(C)C- InChIKey
CJFVCTVYZFTORU-UHFFFAOYSA-N- Molecular formula
- C5H12S
- Average molar mass
- 104.22 g/mol
- Monoisotopic mass
- 104.06597156
Names & identifiers
- Preferred name
- 2-Methyl-2-methylsulfanylpropane
- IUPAC
- 2-methyl-2-methylsulfanylpropane
- English name
- tert-Butyl methyl sulfide
- Molecular formula
- C5H12S
- Molecular weight
- 104.21
Names & synonyms
2-methyl-2-methylsulfanylpropaneRefChem:475167628-781-9tert-Butyl methyl sulfide6163-64-0Propane, 2-methyl-2-(methylthio)-3,3-Dimethyl-2-thiabutaneSulfide, tert-butyl methylMethyl tert-butyl sulfide2-Methyl-2-(methylthio)propane2-Methyl-2-(methylsulfanyl)propaneMFCD00008840
Show more names
(CH3)3CSCH32-thiabutane,3,3-dimethyl-
2GNH9VB6FMNSC 97331NSC-97331tert-butyl(methyl)sulfanetert-Butyl methyl sulphidet-butyl methyl sulfideMethyl t-butyl sulfideMethyl-tert-butylsulfide
Database identifiers
- CAS
6163-64-0- PubChem CID
- 138679
- DTXSID
DTXSID20210644- UNII
- 2GNH9VB6FM
- EC Number
- 628-781-9
- Nikkaji
- J43.412D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 33.7
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -82.31 °C · -82.31°C
- Boiling point
- 101 · 101-102 °C (lit.)
- Density
- 0.826 g/mL · 0.826 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.44(lit.)
- Flash point
- 25 °F · 25 °F
- storage temp.
- Flammables area
- solubility
- Difficult to mix.
- form
- liquid
- Specific Gravity
- 0.826 · 0.826
- color
- Colorless to Light yellow to Light orange
- Specific Heat Capacity
- 1.92 J/ · Cp(liquid): 1.92 J/(g·K), at 25℃
- Henry's Law Constant
- 3.6 · 3.6×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
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
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29309099
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- safety_code
- 16-26-36/37/39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H225-H315-H319-H335
Chemistry & industry
Applications
Usestert-Butyl methyl sulfide is used for LPG refining process and It have high content of sulfur.
General DescriptionAlloxazine-cyclodextrin conjugate catalyzed enantioselective oxidation of tert-butyl methyl sulfide has been reported.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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