Dodecylbenzenesulfonic Acid(DBSA) - ≥90%,minxture , CAS No.27176-87-0

CAS: 27176-87-0 Cat. No.: D106550 Molecular Weight: 326.49 EC Number: 248-289-4

GRADE & PURITY ≥90%, minxture

Synonyms

FT-0698141 | 2-dodecylbenzene-1-sulfonic acid | UNII-QMO4A07H35 | WBIQQQGBSDOWNP-UHFFFAOYSA-N | C18H30O3S | HY-W250144 | CHEBI:149774 | dodecyl benzene sulphonic acid | 2-dodecylbenzenesulphonic acid | Benzenesulfonic acid, 2-dodecyl- | DODECYL BENZENE SU

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Dodecylbenzenesulfonic acid solution (DBSA) is a non-volatile and non-hygroscopic acid catalyst majorly used in the trans-esterification reaction.

Specifications

Synonyms

FT-0698141 | 2-dodecylbenzene-1-sulfonic acid | UNII-QMO4A07H35 | WBIQQQGBSDOWNP-UHFFFAOYSA-N | C18H30O3S | HY-W250144 | CHEBI:149774 | dodecyl benzene sulphonic acid | 2-dodecylbenzenesulphonic acid | Benzenesulfonic acid, 2-dodecyl- | DODECYL BENZENE SU

Specifications & Purity

≥90%, minxture

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥90%

Names and Identifiers

• Pubchem Sid: 504753305
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753305
• Canonical Smiles: CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O
• IUPAC Name: 2-dodecylbenzenesulfonic acid
• InChIKey: WBIQQQGBSDOWNP-UHFFFAOYSA-N
• INCHI: 1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)
• Isomeric SMILES: CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O
• WGK Germany: 2
• RTECS: DB6600000
• UN Number: 2584
• Packing Group: II
• Molecular Weight: 326.49
• Reaxy-Rn: 2658392
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2658392&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonic acids and derivatives
• Alternative Parents: Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
• 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

• Sensitivity: Light sensitive
• Refractive Index: 1.479
• Flash Point(°F): 84.2℉
• Flash Point(°C): 29°C
• Boil Point(°C): 82°C
• Molecular Weight: 326.500 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 326.192 Da
• Monoisotopic Mass: 326.192 Da
• Topological Polar Surface Area: 62.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 359.000
• 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. Shaohui Jiang, Qingsong Li, Botao Xu, Tao Zou, Yan Zhang, Wei Ping, Qiang Ma.  (2023)  Synthesis and Application of a Novel Multi-Branched Block Polyether Low-Temperature Demulsifier.  MOLECULES,  28  (24): (8109).  [PMID:38138594] [10.3390/molecules28248109]

2. Hai Liu, Zhuang Zhang, Mengxuan Li, Yaping Li, Yun Kuang, Xiaoming Sun.  (2023)  Ru-doped WO3 enabling efficient hydrogen oxidation reaction in alkaline media.  Nanoscale,  15  (28): (12064-12070).  [PMID:37404123] [10.1039/D2NR06628A]

3. Hai Liu, Guoying Tan, Mengxuan Li, Zhuang Zhang, Marshet Getaye Sendeku, Yaping Li, Yun Kuang, Xiaoming Sun.  (2023)  Single atomic ruthenium in WO3 boosted hydrogen evolution stability at Ampere-level current density in whole pH range.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.141414]

4. Qingxuan Zhang, Yingjie Liu, Zengmin Lun, Jinhe Liu, Yuhui Zhang, Pujiang Yang.  (2022)  The study on interactions between stabilizers and asphaltenes.  JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY,      [PMID:] [10.1080/01932691.2022.2158850]

5. Xingling Wang, Yuxiang Shi, Peng Yang, Xinglin Tao, Shuyao Li, Rui Lei, Zhaoqi Liu, Zhong Lin Wang, Xiangyu Chen.  (2022)  Fish-Wearable Data Snooping Platform for Underwater Energy Harvesting and Fish Behavior Monitoring.  Small,  18  (10): (2107232).  [PMID:35122467] [10.1002/smll.202107232]