기본 정보
- 표준 SMILES
O=S(=O)([O-])CCO.[Na+]- InChIKey
LADXKQRVAFSPTR-UHFFFAOYSA-M- 분자식
- C2H5NaO4S
- 평균 분자량
- 148.12 g/mol
- 단동위원소 질량
- 147.98062392
개요
The CIR Expert Panel concluded that the 12 isethionate salts listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Sodium Isethionate...
이름 및 식별자
- 우선 이름
- Sodium Isethionate
- IUPAC
- sodium 2-hydroxyethanesulfonate
- 현지명
- 이세티온산 소듐 염
- 영어명
- Sodium isethionate
- 분자식
- C2H5NaO4S
- 분자량
- 148.11
이름 및 동의어
1562-00-1SODIUM ISETHIONATEIsethionic acid sodium saltSodium 2-hydroxyethanesulfonate2-Hydroxyethanesulfonic acid sodium saltSodium hydroxyethylsulfonateEthanesulfonic acid, 2-hydroxy-, monosodium saltSodium 2-hydroxyethylsulfonateDTXSID7027413Sodium beta-hydroxyethanesulfonateSodium 2-hydroxy-1-ethanesulfonate2-Hydroxyethanesulfonic acid, sodium salt
이름 더 보기
이세티온산소듐염소듐이세티오네이트소듐 아이세티오네이트2-HYDROXYETHANESULFONIC ACIDphonic acid2-HydroxyethanesuLISETHIONIC ACID SODIUM2-hydroxyethyl sulfonateSodiumhydroxyethylsulfonateHYDROXYETHYLSULFONIC ACID SODIUM SALT
3R36J71C17DTXCID007413NSC-124283RefChem:183946216-343-6sodium;2-hydroxyethanesulfonateC2H5NaO4SMFCD00007534
데이터베이스 식별자
- CAS
1562-00-1- PubChem CID
- 517063
- DTXSID
DTXSID7027413- ChEMBL
CHEMBL172191- UNII
- 3R36J71C17
- EC Number
- 216-343-6
- Nikkaji
- J201.793H
물성
구조 계산 물성
- 극성 표면적
- 85.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 121
실험 및 물리화학적 성질
Chemical ClassesOther Uses -> Biocides/Disinfectants
Cosmetics
Cosmetic ingredients (Sodium Isethionate) -> CIR (Cosmetic Ingredient Review)
Hair conditioning; Cleansing; Skin conditioning; Antistatic
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical Description
Liquid
White crystalline powder; [MSDSonline]
물리화학적 성질
- 녹는점
- 191 · 191-194 °C(lit.)
- 밀도
- 1762.7 · 1762.7[at 20℃]
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 2 O: · H2O: 0.1 g/mL, 투명, 무색
- 물리적 상태
- 고운 가루
- 색상
- 하얀색
- 수소이온지수(pH)
- 7 · 7.0-11.0 (20g/l, H2O, 20℃)
- 수용성
- 녹는
- BRN
- 3633992 · 3633992
- 안정성
- 안정적인. 흡습성. 강한 산화제, 강산과 호환되지 않습니다.
- 화장품 원료 기능
- 세척제대전방지제헤어 컨디셔닝피부 컨디셔닝
- InChI
- InChI=1S/C2H6O4S.Na/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1
- InChIKey
- LADXKQRVAFSPTR-UHFFFAOYSA-M
- SMILES
- [Na+].[O-]S(CCO)(=O)=O
- LogP
- -4.6 at · -4.6 at 20℃
- EPA
- 2 · Ethanesulfonic acid, 2-hydroxy-, monosodium salt (1562-00-1)
화학적 성질
Sodium isethionate is a colorless, syrupy, strongly acidic liquid that can form detergents with oleic acid. It is an organic salt and an important intermediate for pharmaceuticals, cosmetics and daily chemicals.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 99.3% (147 of 148) of all reports.
Not Classified
Aggregated GHS information provided per 148 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Ethanesulfonic acid, 2-hydroxy-, monosodium salt
Ethanesulfonic acid, 2-hydroxy-, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanesulfonic acid, 2-hydroxy-, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 02-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13420
Ethanesulfonic acid, 2-hydroxy-, monosodium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryOral LD50 (rat) >5,000 mg/kg; Not irritating in acute eye irritation testing; [IUCLID] An irritant; [MSDSonline]
Hazard Classes and CategoriesNot Classified
독성 정보
Toxicity Summary
The CIR Expert Panel concluded that the 12 isethionate salts listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Sodium Isethionate...
Safe for use in cosmetics, with qualifications
Non-Human Toxicity Excerpts
PERFUSION OF THE ISOLATED SPINAL CORD OF THE FROG WITH SODIUM ISETHIONATE DID NOT AFFECT THE RESPONSES OF THE EXTRACELLULAR POTASSIUM, BUT IT DID AFFECT THE NEURONAL MEMBRANES.
IN COMPARISON WITH ISOOSMOTIC CHLORIDE SALTS IV INFUSED CONTROL RATS, THE AMT OF CHLORIDE DECR & THAT OF POTASSIUM INCR IN THE URINE WHILE BOTH CHLORIDE & POTASSIUM LEVELS DECR IN THE SERUM OF RATS INFUSED WITH ISOOSMOTIC SODIUM ISETHIONATE. THE CONCN OF CHLORIDE IN LIVER & KIDNEY ALSO DECR BUT NO CHANGE OCCURRED IN BRAIN CHLORIDE LEVEL. POTASSIUM LEVELS DID NOT CHANGE IN ANY OF THESE TISSUES.
SODIUM ISETHIONATE OR TAURINE GIVEN IP INTO RATS @ 0.8 MMOL/KG PREVENTED THE INHIBITORY EFFECT OF LACTIC ACID ON GASTROCNEMIUS MUSCLE CONTRACTION. BOTH ISETHIONATE & TAURINE INCR BLOOD CIRCULATION IN FEMORAL ARTERIES & HIND LIMB MUSCLES, WHEREAS LACTIC ACID DECR THIS CIRCULATION. VASODILATING ACTIVITY OF ISETHIONATE & TAURINE WAS ALSO OBSERVED.
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- KI7700000
- 독성
- LD50 orally in Rabbit: > 2500 mg/kg
- HS 번호
- 29055910
- risk_code
- 40
- hazard_code
- Xn
- safety_code
- 24/25-36-22
- 기존화학 물질
- KE-20478
- 스토리지 클래스
- 13 - Non Combustible Solids
- 유해 물질 데이터
- 1562-00-1(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
CIR ingredient: Sodium Isethionate
Used for wetting coal dust and as a sulfoethylating agent in organic synthesis; [HSDB] Used in cleaning/washing agents, disinfectants, cosmetics, surface-active agents, shampoos, and bubble baths; [IUCLID]
Using Disinfectants or Biocides [Category: Clean]
IN COMPOSITION FOR WETTING COAL DUST
CHEM INT FOR ACYL ISETHIONATES USED IN DETERGENTS & SOAPS
SULFOETHYLATING AGENT IN ORG SYNTH
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 25,000,000 - <40,000,000 lb
(1977) AT LEAST 1.36X10+9 GRAMS
(1981) No Data
Consumer UsesSurfactant (surface active agent)
Industry UsesIntermediate
Methods of ManufacturingPROBABLY BY REACTION OF 2-CHLOROETHYLSULFONIC ACID WITH SODIUM HYDROXIDE; PROBABLY BY REACTION OF ETHYLENE OXIDE WITH SODIUM BISULFITE
Household ProductsInformation on 60 consumer products that contain Sodium isethionate in the following categories is provided:
Use ClassificationCosmetics -> Hair conditioning; Cleansing; Skin conditioning; Antistatic
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Ethanesulfonic acid, 2-hydroxy-, sodium salt (1:1): ACTIVE
응용 분야
용도Isethionic acid sodium salt is an amphoteric detergent used in detergent bar soaps. It makes a dense lather in addition to the lather made by the soap. It is mild on the skin, and non-drying. It works equally well in soft or hard water. It is also an anti-static agent in shampoos.
제조 방법
Sodium isethionate is synthesized by the condensation reaction of sodium bisulfite and ethylene oxide.
상·하류 제품 정보
상류 원료
하류 제품
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