Dibutyl Sulfoxide - ≥96%(GC) , CAS No.2168-93-6

CAS: 2168-93-6 Cat. No.: D155298 Molecular Weight: 162.29 Beilstein Registry Number: 1371 EC Number: 218-511-4

GRADE & PURITY ≥96%(GC)

Synonyms

Dibutyl sulfoxide | Butane,1-(butylsulfinyl)- | dibutylsulfoxide | Sulfoxide, dibutyl | AKOS015897433 | Butyl sulfoxide, 96% | D89802 | 4-01-00-01561 (Beilstein Handbook Reference) | SY049318 | AI3-62188 | 1-(Butylsulfinyl)butane # | SCHEMBL148638 | Di-n-

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Application：

It is used as an active pharmaceutical intermediate and in the extraction of thorium(IV) from nitric acid solutions in xylene.

Specifications

Synonyms

Dibutyl sulfoxide | Butane, 1-(butylsulfinyl)- | dibutylsulfoxide | Sulfoxide, dibutyl | AKOS015897433 | Butyl sulfoxide, 96% | D89802 | 4-01-00-01561 (Beilstein Handbook Reference) | SY049318 | AI3-62188 | 1-(Butylsulfinyl)butane # | SCHEMBL148638 | Di-n-

Specifications & Purity

≥96%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥96%(GC)

Names and Identifiers

• Pubchem Sid: 504752760
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752760
• Canonical Smiles: CCCCS(=O)CCCC
• IUPAC Name: 1-butylsulfinylbutane
• InChIKey: LOWMYOWHQMKBTM-UHFFFAOYSA-N
• INCHI: 1S/C8H18OS/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3
• Isomeric SMILES: CCCCS(=O)CCCC
• WGK Germany: 3
• RTECS: EK5700000
• Molecular Weight: 162.29
• Beilstein: 1371
• Reaxy-Rn: 1747425
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747425&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Sulfoxides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Sulfoxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfoxides
• Alternative Parents: Sulfinyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfoxide - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfoxides. These are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Slightly soluble in water.
• Sensitivity: Hygroscopic
• Refractive Index: 1.467
• Flash Point(°F): 249.8 °F
• Flash Point(°C): 121℃
• Boil Point(°C): 250℃
• Melt Point(°C): 31-34℃
• Molecular Weight: 162.300 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 162.108 Da
• Monoisotopic Mass: 162.108 Da
• Topological Polar Surface Area: 36.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 81.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Junchen Li, Peng He, Wuchao Xie, Yujie Xie, Yongquan Fu, Shutian Huang, Guojuan Lai, Zhen Wang, Fujun Zhang, Xixiang Zhu.  (2025)  Multifunctional Benzene-Based Solid Additive for Synergistically Boosting Efficiency and Stability in Layer-by-Layer Organic Photovoltaics.  Energies,  19  (1):   [PMID:] [10.3390/en19010211]