기본 정보
- 표준 SMILES
O=S(=O)(O)CCO- InChIKey
SUMDYPCJJOFFON-UHFFFAOYSA-N- 분자식
- C2H6O4S
- 평균 분자량
- 126.13 g/mol
- 단동위원소 질량
- 125.99867967
개요
Isethionic acid is an alkanesulfonic acid in which the sulfo group is directly linked to a 2-hydroxyethyl group. It has a role as a human metabolite. It is a conjugate acid of an isethionate.
이름 및 식별자
- 우선 이름
- Isethionic Acid
- IUPAC
- 2-hydroxyethanesulfonic acid
- 현지명
- 2-하이드록시에탄설폰산
- 영어명
- 2-Hydroxyethanesulphonic acid
- 분자식
- C2H6O4S
- 분자량
- 126.13
이름 및 동의어
ISETHIONIC ACID107-36-82-Hydroxyethanesulfonic acidHydroxyethylsulfonic acidEthanesulfonic acid, 2-hydroxy-NSC-6051697J3QN9884CHEBI:1157DTXSID1041427Acid, IsethionicIsethionate, SodiumRefChem:148926
이름 더 보기
2-하이드록시에탄설폰산2-히드록시에탄술폰산Isethionate2-HydroxyethanesulfonateC05123usafdo-14NSC 60516isethionicIsethionicicisethionicaciisothionicacid
Acid, HydroxyethylsulfonicDTXCID9021427203-484-32-Hydroxyethanesulphonic acid2-Hydroxyethane-1-sulfonic acidEthanolsulfonic acidCaswell No. 502USAF DO-14
데이터베이스 식별자
- CAS
107-36-8- PubChem CID
- 7866
- DTXSID
DTXSID1041427- ChEBI
CHEBI:1157- UNII
- 97J3QN9884
- EC Number
- 203-484-3
- Nikkaji
- J5.057A
물성
구조 계산 물성
- XLogP
- -1.6
- 극성 표면적
- 83 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 117
실험 및 물리화학적 성질
Solubility1000 mg/mL
Melting Point< 25 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 25 °C · <25 °C
- 끓는 점
- 226 ℃ · 226℃ at 101.3kPa
- 밀도
- 1.344 · 1.344 (estimate)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.509 · 1.5090 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 메탄올 (약간 용해됨), 물(용해성)
- 물리적 상태
- 무색 용액
- 산도 계수 (pKa)
- 1.39 · 1.39±0.50(Predicted)
- 색상
- Colorless to light yellow
- InChI
- InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)
- InChIKey
- SUMDYPCJJOFFON-UHFFFAOYSA-N
- SMILES
- C(S(O)(=O)=O)CO
- LogP
- -1.65 at · -1.65 at 25℃ and pH2
- EPA
- 2 · 2-Hydroxyethanesulfonic acid (107-36-8)
화학적 성질
Liquid. Very soluble in water; insoluble in alcohol.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.7% (1 of 137) of reports.
Danger
H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 137 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Status: Active Update: 07-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25109
Ethanesulfonic acid, 2-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Corr. 1A (97.8%)
안전 데이터
- tsca
- TSCA listed
- ridadr
- 3265
- HS 번호
- 2930909899
- risk_code
- 40
- hazard_code
- Xn
- safety_code
- 22-36
- 포장분류
- Ⅲ
- 위험 등급
- 8
- 기존화학 물질
- 2011-3-4967
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
General Manufacturing InformationEthanesulfonic acid, 2-hydroxy-: ACTIVE
응용 분야
용도Detergents, surfactants, synthesis.
공급사50 곳
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
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추가 설명
정의ChEBI: An alkanesulfonic acid in which the sulfo group is directly linked to a 2-hydroxyethyl group.
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