2-dodecylbenzenesulfonic acid (CHEBI:149774)

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ChEBI Name	2-dodecylbenzenesulfonic acid

ChEBI ID	CHEBI:149774

Definition	A member of the class dodecylbenzenesulfonic acids that is benzenesulfonic acid in which the hydrogen at position 2 of the phenyl ring is substituted by a dodecyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Mark Williams

Supplier Information

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Formula

C18H30O3S

Net Charge

Average Mass

326.500

Monoisotopic Mass

326.19157

InChI

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)

InChIKey

WBIQQQGBSDOWNP-UHFFFAOYSA-N

SMILES

C(CCCCCCC)CCCCC=1C(=CC=CC1)S(O)(=O)=O

Metabolite of Species	Details
Scolopendra subsp.nipes (NCBI:txid55038)	See: PubMed

Roles Classification
Chemical Role(s):	detergent A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions. (via dodecylbenzenesulfonic acid )

Biological Role(s):	animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.

Application(s):	detergent A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions. (via dodecylbenzenesulfonic acid )

ChEBI Ontology
Outgoing	2-dodecylbenzenesulfonic acid (CHEBI:149774) has role animal metabolite (CHEBI:75767) 2-dodecylbenzenesulfonic acid (CHEBI:149774) is a dodecylbenzenesulfonic acid (CHEBI:149773)

IUPAC Name

2-dodecylbenzenesulfonic acid

Synonyms	Sources
2-dodecylbenzene-1-sulfonic acid	IUPAC
2-dodecylbenzene-1-sulphonic acid	HMDB
o-dodecylbenzenesulfonic acid	ChemIDplus

Registry Number	Type	Source
47221-31-8	CAS Registry Number	ChemIDplus

Citation	Type	Source
31254123	PubMed citation	Europe PMC

Last Modified

05 June 2020