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Linear alkylbenzenesulfonic acid - ≥96%, high purity , CAS No.68584-22-5

COA

Grade & Purity:

≥96%

Cas Number: 68584-22-5
EC Number: 271-528-9
PubChem CID: 8485

In stock

Item Number

L1371607

Grouped product items
SKU	Size	Availability	Price	Qty
L1371607-250g	250g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$46.90

Basic Description

Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	Dodecyl Benzene Sulfonic Acid can be used in all types of household, industrial and institutional cleaners including laundry, dishwash, carwash, hard surface and general purpose detergents. It can also be utilized as an intermediate in preparation of emulsifiers and wetting and foaming agents. Unneutralized compound is an effective surfactant in acidic products such as liquid bowl, aluminum and dairy cleaners. It is an important raw material and intermediate used in Organic Synthesis, Pharma synthesis.

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
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

Names and Identifiers

IUPAC Name	4-dodecylbenzenesulfonic acid
INCHI	InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)
InChIKey	KWXICGTUELOLSQ-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O
Isomeric SMILES	CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O
RTECS	DB4290000
UN Number	2586
Packing Group	III
Reaxy-Rn	2217653
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2217653&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	It is soluble in water. 300,000 mg/L at 20°C .
Refractive Index	n20D1.51 (Predicted)
Melt Point(°C)	-12° C
Molecular Weight	326.500 g/mol
XLogP3	7.000
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 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	351.000
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

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