Dodecylbenzenesulphonic acid

HCID 25457CAS 27176-87-0

기본 정보

표준 SMILES: CCCCCCCCCCCCc1ccccc1S(=O)(=O)O
InChIKey: WBIQQQGBSDOWNP-UHFFFAOYSA-N
분자식: C18H30O3S
평균 분자량: 326.5 g/mol
단동위원소 질량: 326.19156582

개요

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.

이름 및 식별자

우선 이름: Dodecylbenzenesulphonic acid
IUPAC: 2-dodecylbenzenesulfonic acid

이름 및 동의어

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)

이름 더 보기

DBSAUNII-QMO4A07H35SCHEMBL24533dodecyl benzene sulphonic acidorb1705320SCHEMBL1714372SCHEMBL6471485SCHEMBL29692221

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 6.9
극성 표면적: 62.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 12
무거운 원자 수: 22
형식 전하: 0
복잡도: 359

실험 및 물리화학적 성질

DrugsPharmaceuticals

SurfactantsSurfactant

안전 및 규제

GHS 분류

GHS Classification · 6건

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