Dodecylbenzenesulphonic acid

HCID 25457CAS 27176-87-0

基本情報

標準SMILES: CCCCCCCCCCCCc1ccccc1S(=O)(=O)O
InChIKey: WBIQQQGBSDOWNP-UHFFFAOYSA-N
分子式: C18H30O3S
平均分子量: 326.5 g/mol
単同位体質量: 326.19156582

概要

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.

名称と識別子

優先名称: Dodecylbenzenesulphonic acid
IUPAC: 2-dodecylbenzenesulfonic acid

名称と別名

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)

名称をさらに表示

DBSAUNII-QMO4A07H35SCHEMBL24533dodecyl benzene sulphonic acidorb1705320SCHEMBL1714372SCHEMBL6471485SCHEMBL29692221

データベース識別子

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

物性

構造計算による物性

XLogP: 6.9
極性表面積: 62.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 12
重原子数: 22
形式電荷: 0
複雑度: 359

実験および物理化学的性質

DrugsPharmaceuticals

SurfactantsSurfactant

安全と法規制

GHS分類

GHS Classification · 6 件

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