Basic information
- CAS
3079-30-9- Standard SMILES
CCCCCCCCCCCCS(C)=O- InChIKey
CJPDBKNETSCHCH-UHFFFAOYSA-N- Molecular formula
- C13H28OS
- Average molar mass
- 232.43 g/mol
- Monoisotopic mass
- 232.18608669
Names & identifiers
- Preferred name
- 1-(Methylsulphinyl)dodecane
- IUPAC
- 1-methylsulfinyldodecane
- English name
- Dodecyl methyl sulfoxide
- Molecular formula
- C13H28OS
- Molecular weight
- 232.43
Names & synonyms
Dodecyl methyl sulfoxide1-(Methylsulphinyl)dodecaneEINECS 221-369-6RefChem:428017221-369-61-(Methylsulfinyl)dodecane3079-30-91-methylsulfinyldodecane1-methanesulfinyldodecaneDodecane, 1-(methylsulfinyl)-MFCD02326311Methyl lauryl sulfoxide
Show more names
1-(Methylsulfinyl)Methyl dodecyl sulfoxiden-Dodecyl methyl sulfoxideMethyl n-dodecyl sulfoxideDodecyl methyl sulfoxide 98%Dodecane,1-(methylsulfinyl)-
1-(Methanesulfinyl)dodecaneSCHEMBL313076Dodecyl methyl sulfoxide, 98%AKOS015912582SY287717DODECYLMETHYLSULFOXIDEC13H28OSSulfoxide, dodecyl methyl
Database identifiers
- CAS
3079-30-9- PubChem CID
- 18319
- DTXSID
DTXSID00952994- ChEMBL
CHEMBL1782215- EC Number
- 221-369-6
- Nikkaji
- J104.360I
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 59 · 59-63 °C (lit.)
- Boiling point
- 356.1 · 356.1±11.0 °C(Predicted)
- Density
- 0.92 · 0.920±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C13H28OS/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14/h3-13H2,1-2H3
- InChIKey
- CJPDBKNETSCHCH-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCS(C)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesDodecyl methyl sulfoxide can be used as a substitute for dimethyl sulfoxide in Swern oxidation of primary allylic and benzylic alcohols to the corresponding aldehydes and secondary alcohols to the corresponding ketones.
General DescriptionDodecyl methyl sulfoxide can be synthesized via oxidation of dodecyl methyl sulfide with sodium periodate.
Upstream & downstream products
Downstream products
Suppliers58 total
三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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