Grundinformationen
- CAS
111-17-1- Standard-SMILES
O=C(O)CCSCCC(=O)O- InChIKey
ODJQKYXPKWQWNK-UHFFFAOYSA-N- Summenformel
- C6H10O4S
- Durchschnittliche Molmasse
- 178,21 g/mol
- Monoisotopische Masse
- 178,0299798
Überblick
3,3'-Thiobispropanoic acid is a dicarboxylic acid.
Namen und Bezeichner
- Bevorzugter Name
- Thiodipropionic Acid
- IUPAC
- 3-(2-carboxyethylsulfanyl)propanoic acid
- Lokaler Name
- 3,3'-Thiodipropionsure
- Englischer Name
- 3,3'-Thiodipropionic acid
- Summenformel
- C6H10O4S
- Molmasse
- 178.21
Namen und Synonyme
3,3'-Thiodipropionic acid111-17-1THIODIPROPIONIC ACIDTyox ATDPAPropanoic acid, 3,3'-thiobis-Bis(2-carboxyethyl) sulfideThiodihydracrylic acid4-Thiaheptanedioic acidSulfide, bis(2-carboxyethyl)3,3'-Thiobis(propanoic acid)Thiahydracrylic acid
Weitere Namen anzeigen
3,3-THIODIPROPIONIC ACIDthiodipropionatetyoxa3.3'-ThiodiprothiodipropionicRARECHEM AL BO 0314LABOTEST-BB LT00254336
Propionic acid, 3,3'-thiodi-Diethyl sulfide 2,2'-dicarboxylic acidDTXSID80442003BBK323ED8DTXCID6024200NSC-8166Kyselina beta,beta'-thiodipropionovaNSC-65523
Datenbank-Bezeichner
- CAS
111-17-1- PubChem CID
- 8096
- DTXSID
DTXSID8044200- ChEMBL
CHEMBL1569439
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,1
- Polarare Oberfläche (TPSA)
- 99,9 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 130
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Sulfur Compounds
CosmeticsCosmetic ingredients (Thiodipropionic Acid) -> CIR (Cosmetic Ingredient Review)
Food AdditivesANTIOXIDANT -> FDA Substance added to food
Color/FormNACREOUS LEAFLETS FROM HOT WATER
Solubility
FREELY SOL IN HOT WATER, ALC, ACETONE; 1 G DISSOLVES IN 26.9 ML WATER @ 26 °C
37.2 mg/mL at 26 °C
Melting Point
134 °C
134 °C
Vapor Pressure0.0000143 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Liquid; Dry Powder
Solid; [Merck Index] Lustrous pearlescent solid; [CHEMINFO] White powder with a stench; [Alfa Aesar MSDS]
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H318 (69.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 165 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Gefahrenhinweise
Regulatory Information
Chemical: Propanoic acid, 3,3'-thiobis-
Propanoic acid, 3,3'-thiobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 3,3'-thiobis- 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: 18-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11809
Thiodipropionic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Although approved as a food antioxidant, has limited commercial use due to problems with odor and flavor in edible fats; In intravenous lethal-dose studies of dogs, causes drop in blood pressure, respiratory difficulties, and cardiac collapse prior to death; [HSDB] A mild skin and moderate eye irritant; [RTECS] An eye irritant; [Alfa Aesar MSDS]
Hazard Classes and Categories
Eye Dam. 1 (69.1%)
Skin corrosion/irritation - Category 1
Toxikologische Informationen
Chemie und Industrie
Pharmakologische Informationen
Absorption, Distribution and ExcretionTHIODIPROPIONIC ACID WHEN INJECTED INTO RABBITS IS RAPIDLY ELIMINATED UNCHANGED IN THE URINE (80% EXCRETED IN 2 HOURS) /PRC: LIKE DICARBOXYLIC ACIDS IN GENERAL/
Cellular LocationsCytoplasm
Verwendung und Herstellung
Uses
CIR ingredient: Thiodipropionic Acid
Used as an antioxidant for soap products, ethylene polymers, and edible fats and oils; Also used in plasticizers, lubricants, pharmaceuticals, and food packaging; [HSDB]
ANTIOXIDANT FOR SOAP PRODUCTS & POLYMERS OF ETHYLENE; IN PLASTICIZERS AND LUBRICANTS
PRESERVATIVE & ANTIOXIDANT FOR EDIBLE FATS & OILS; PHARMACEUTICALS; FOOD PACKAGING INGREDIENT
U.S. Production2023: <75,000 lb
Consumer UsesStabilizing agent
Industry UsesStabilizing agent
Methods of ManufacturingBRITISH PATENT 571,628 (1945 TO AM CYANAMID CO); GRESHAM, SHAVER, US PATENT 2,449,992 (1948 TO BF GOODRICH).
Household ProductsInformation on 2 consumer products that contain Thiodipropionic acid in the following categories is provided:
Use ClassificationFood Additives -> ANTIOXIDANT -> JECFA Functional Classes
General Manufacturing Information
Plastics Product Manufacturing
Propanoic acid, 3,3'-thiobis-: ACTIVE
OTHER ANTIOXIDANTS, WHICH ARE FOOD APPROVED BUT FIND LITTLE COMMERCIAL USE, INCLUDE THIODIPROPIONIC ACID ... THESE ANTIOXIDANTS ARE RELATIVELY INEFFECTIVE &, LIKE MANY SULFUR-CONTAINING COMPOUNDS, CAUSE ODOR & FLAVOR PROBLEMS IN EDIBLE FATS.
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