基本情報
- CAS
1562-00-1- 標準SMILES
O=S(=O)([O-])CCO.[Na+]- InChIKey
LADXKQRVAFSPTR-UHFFFAOYSA-M- 分子式
- C2H5NaO4S
- 平均分子量
- 148.12 g/mol
- 単同位体質量
- 147.98062392
概要
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...
名称と識別子
- 優先名称
- Sodium Isethionate
- IUPAC
- sodium 2-hydroxyethanesulfonate
- 現地名
- イセチオン酸ナトリウム
- 英語名
- Sodium isethionate
- 分子式
- C2H5NaO4S
- 分子量
- 148.11
名称と別名
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
名称をさらに表示
イセチオン酸ナトリウムナトリウムイセチオナート2-ヒドロキシエタン-1-スルホン酸ナトリウムイセチオン酸ナトリウム塩2-ヒドロキシエタンスルホン酸ナトリウムイセチオン酸Ｎａナトリウム＝2-ヒドロキシエタンスルホナート2-ヒドロキシエタンスルホン酸ナトリウム塩イセチオン酸 ナトリウム塩ナトリウム 2-ヒドロキシエタン-1-スルホナート2-HYDROXYETHANESULFONIC ACIDphonic acid2-HydroxyethanesuLISETHIONIC ACID SODIUM2-hydroxyethyl sulfonateSodiumhydroxyethylsulfonateHYDROXYETHYLSULFONIC ACID SODIUM SALT
3R36J71C17DTXCID007413NSC-124283RefChem:183946216-343-6sodium;2-hydroxyethanesulfonateC2H5NaO4SMFCD00007534
データベース識別子
- CAS
1562-00-1- PubChem CID
- 517063
- DTXSID
DTXSID7027413- ChEMBL
CHEMBL172191- UNII
- 3R36J71C17
- EC Number
- 216-343-6
- Nikkaji
- J201.793H
物性
構造計算による物性
- 極性表面積
- 85.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 121
実験および物理化学的性質
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]
物理化学的性質
- 融点
- 191 · 191-194 °C(lit.)
- 比重(密度)
- 1762.7 · 1762.7[at 20℃]
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 2 O: · H2O: 0.1 g/mL 無色透明
- 外見
- 微粉
- 色
- 白い
- PH
- 7 · 7.0-11.0 (20g/l, H2O, 20℃)
- 水溶解度
- 溶ける
- BRN
- 3633992 · 3633992
- 安定性
- 安定。吸湿性。強酸化剤、強酸とは相容れない。
- 化粧品成分の機能
- クレンジング帯電防止ヘアコンディショニングスキンコンディショニング
- 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℃
- CAS データベース
- 1562 · 1562-00-1(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · Ethanesulfonic acid, 2-hydroxy-, monosodium salt (1562-00-1)
化学的性質
化学的特性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.
安全と法規制
GHS分類
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.
危険有害性情報
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
毒性情報
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.
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- KI7700000
- 毒性
- LD50 orally in Rabbit: > 2500 mg/kg
- hs_code
- 29055910
- risk_code
- 40
- 化審法
- (2)-1646
- hazard_code
- Xn
- safety_code
- 24/25-36-22
- ストレージクラス
- 13 - Non Combustible Solids
- 有毒物質データの
- 1562-00-1(Hazardous Substances Data)
化学と産業
用途と製造
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
応用分野
用途医薬及び化粧品の原料。
使用Isethionic 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.
調製方法
製造方法Sodium isethionate is synthesized by the condensation reaction of sodium bisulfite and ethylene oxide.
上流・下流製品情報
上流原料
下流製品
サプライヤー100 社
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
武汉赛沃尔化工有限公司027-85613400 18707177243 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
唐山默内德贸易有限公司0315-8309571 15633399667 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
南京爱莉生物科技有限公司025-83208295 18913388297 · [email protected]
天津科创医药中间体技术生产力促进有限公司022-60116533 13207668525 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳市石金谷科技有限公司(0086)755-61930359 (0086)18038192047 · [email protected]
上海宸香医药科技有限公司021-20960837 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
湖北省圣宝莱生物科技有限公司027-59105235 13007105135 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
補足説明
定義本品は、イセチオン酸のナトリウム塩であり、次の化学式で表される。
関連反応
6 件
化合物ノート
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