Dodecylbenzenesulphonic acid

HCID 25457CAS 27176-87-0

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Grundinformationen

Standard-SMILES: CCCCCCCCCCCCc1ccccc1S(=O)(=O)O
InChIKey: WBIQQQGBSDOWNP-UHFFFAOYSA-N
Summenformel: C18H30O3S
Durchschnittliche Molmasse: 326,5 g/mol
Monoisotopische Masse: 326,19156582

Überblick

2-dodecylbenzenesulfonic acid is 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. It has a role as an animal metabolite.

Namen und Bezeichner

Bevorzugter Name: Dodecylbenzenesulphonic acid
IUPAC: 2-dodecylbenzenesulfonic acid

Namen und Synonyme

Dodecylbenzenesulphonic acidRefChem:5903252-DODECYLBENZENESULFONIC ACIDo-dodecylbenzenesulfonic acidBenzenesulfonic acid, 2-dodecyl-47221-31-82-dodecylbenzene-1-sulfonic acid2-dodecylbenzenesulphonic acidQMO4A07H35C18H30O3SDodecylbenzenesulfonic ADodecylbenzenesulfonic Acid (70 wt. % in isopropanol, Technical grade, Mixture of different chain lengths)

Weitere Namen anzeigen

DBSAUNII-QMO4A07H35SCHEMBL24533dodecyl benzene sulphonic acidorb1705320SCHEMBL1714372SCHEMBL6471485SCHEMBL29692221

Datenbank-Bezeichner

CAS: 27176-87-0、47221-31-8
PubChem CID: 25457
DTXSID: DTXSID10860152
ChEBI: CHEBI:149774
UNII: QMO4A07H35
EC Number: 248-289-4
Nikkaji: J181.022G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,9
Polarare Oberfläche (TPSA): 62,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 12
Schwere Atome: 22
Formalladung: 0
Komplexität: 359

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals

SurfactantsSurfactant

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 0.3% (6 of 1772) of reports.

Danger

H302 (99.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P262, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1772 reports by companies from 32 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger