硫代二丙酸

Description

Thiodipropionic Acid · CAS 111-17-1 · C6H10O4S. UNII 3BBK323ED8. Melting Point: 134 °C; Solubility: 37.2 mg/mL at 26 °C; Vapor Pressure: 0.0000143 [mmHg].

Identification

CAS Registry Number	111-17-1
PubChem CID	8096
Molecular formula	C6H10O4S
IUPAC name	3-(2-carboxyethylsulfanyl)propanoic acid
UNII (FDA)	3BBK323ED8

Computed Descriptors

Molecular Weight	178.21
XLogP3	-0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	178.02997997
Monoisotopic Mass	178.02997997
Topological Polar Surface Area	99.9
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Melting Point	134 °C
Solubility	37.2 mg/mL at 26 °C
Vapor Pressure	0.0000143 [mmHg]
Dissociation Constants	K AT 25 °C: 7.8X10-5

Physical description & handling notes

• Liquid; Dry Powder
• Solid; [Merck Index] Lustrous pearlescent solid; [CHEMINFO] White powder with a stench; [Alfa Aesar MSDS]
• Solid
• NACREOUS LEAFLETS FROM HOT WATER
• FREELY SOL IN HOT WATER, ALC, ACETONE; 1 G DISSOLVES IN 26.9 ML WATER @ 26 °C

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: ANTIOXIDANT FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS ANTIOXIDANT: Food Additives JECFA ADI: 0-3 mg/kg bw NMRS 53/TRS 539-JECFA 17/19 FAS 5/NMRS 53A-JECFA 17/205

GHS Hazard Classification

Reported hazard statements	H318 (69.1%), H319 (30.9%), H314

Documented 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
• Food Additives -> ANTIOXIDANT -> JECFA Functional Classes
• Information on 2 consumer products that contain Thiodipropionic acid in the following categories is provided:

Synonyms

3,3'-Thiodipropionic acid; 111-17-1; THIODIPROPIONIC ACID; Tyox A; TDPA; Propanoic acid, 3,3'-thiobis-; Bis(2-carboxyethyl) sulfide; Thiodihydracrylic acid; 4-Thiaheptanedioic acid; Sulfide, bis(2-carboxyethyl); 3,3'-Thiobis(propanoic acid); Thiahydracrylic acid; Propionic acid, 3,3'-thiodi-; Diethyl sulfide 2,2'-dicarboxylic acid; DTXSID8044200; 3BBK323ED8

Frequently Asked Questions

What are the CAS number and molecular formula of Thiodipropionic Acid?

CAS 111-17-1; molecular formula C6H10O4S; molecular weight — g/mol.

What other names is Thiodipropionic Acid known by?

3,3'-Thiodipropionic acid, 111-17-1, THIODIPROPIONIC ACID, Tyox A, TDPA, Propanoic acid, 3,3'-thiobis-.

What is the regulatory status of Thiodipropionic Acid?

Documented regulatory listings: FDA Substance added to food: ANTIOXIDANT; FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS; ANTIOXIDANT: Food Additives.

Is Thiodipropionic Acid classified as hazardous?

Hazard statements reported: H318, H319, H314.

What are the key physical properties of Thiodipropionic Acid?

Melting Point: 134 °C; Solubility: 37.2 mg/mL at 26 °C; Vapor Pressure: 0.0000143 [mmHg]; Dissociation Constants: K AT 25 °C: 7.8X10-5.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.