硫代二丙酸

CAS 111-17-1C6H10O4SMW 178.21

硫代二丙酸（CAS 111-17-1）：分子式 C6H10O4S、分子量 178.21；类别食品添加剂。

产品概览

CAS号	111-17-1
分子式	C6H10O4S
分子量	178.21
熔点	134 °C
LogP	-0.1
应用领域	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、Use Classification: Food Additives -> ANTIOXIDANT -> JECFA Functional Classes、Industry Uses: Stabilizing agent、Monomers、Consumer Uses: Stabilizing agent、Household Products: Information on 2 consumer products that contain Thiodipropionic acid in the following categories is provided:、• Personal Care、Methods of Manufacturing: BRITISH PATENT 571、628 (1945 TO AM CYANAMID CO)、GRESHAM、SHAVER、US PATENT 2、449、992 (1948 TO BF GOODRICH).、U.S. Production: 2023: <75、000 lb、2022: 75、000 - <500、2021: 75、2020: <75、General Manufacturing Information: Plastics Product Manufacturing、Adhesive Manufacturing、Plastics Material and Resin Manufacturing、Paint and Coating 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.、SEVERAL ANTIOXIDANTS、INCLUDING THIODIPROPIONIC ACID、ARE CLEARED FOR USE IN FOOD PACKAGING BY PRIOR SANCTION. SUCH APPROVAL IS BASED ON THE STIPULATION THAT NO MORE THAN 50 PPM OF THE ANTIOXIDANT SHALL BECOME A PART OF THE PACKAGED FOOD.、USE IN FOODS RESTRICTED TO 0.02% OF FAT & OIL CONTENT、INCLUDING ESSENTIAL OILS.
类别	抗氧化剂

应用领域

登记用途：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、Use Classification: Food Additives -> ANTIOXIDANT -> JECFA Functional Classes、Industry Uses: Stabilizing agent、Monomers、Consumer Uses: Stabilizing agent、Household Products: Information on 2 consumer products that contain Thiodipropionic acid in the following categories is provided:、• Personal Care、Methods of Manufacturing: BRITISH PATENT 571、628 (1945 TO AM CYANAMID CO)、GRESHAM、SHAVER、US PATENT 2、449、992 (1948 TO BF GOODRICH).、U.S. Production: 2023: <75、000 lb、2022: 75、000 - <500、2021: 75、2020: <75、General Manufacturing Information: Plastics Product Manufacturing、Adhesive Manufacturing、Plastics Material and Resin Manufacturing、Paint and Coating 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.、SEVERAL ANTIOXIDANTS、INCLUDING THIODIPROPIONIC ACID、ARE CLEARED FOR USE IN FOOD PACKAGING BY PRIOR SANCTION. SUCH APPROVAL IS BASED ON THE STIPULATION THAT NO MORE THAN 50 PPM OF THE ANTIOXIDANT SHALL BECOME A PART OF THE PACKAGED FOOD.、USE IN FOODS RESTRICTED TO 0.02% OF FAT & OIL CONTENT、INCLUDING ESSENTIAL OILS.。

技术档案

这个产品是什么

硫代二丙酸是一种食品级化合物，登记 CAS 号为 111-17-1，分子式 C6H10O4S（分子量 178.21），归属于食品添加剂大类化工原料。

识别信息

登记 CAS 号：111-17-1

其分子式 C6H10O4S 由 6 个碳、10 个氢、4 个氧、1 个硫组成。

别名/同义词：硫代二丙酸 · Thiodipropionic Acid

所属分类：食品添加剂

常见问题

硫代二丙酸的 CAS 号是多少？

硫代二丙酸的 CAS 登记号为 111-17-1。

硫代二丙酸的分子式与分子量是多少？

分子式 C6H10O4S，分子量 178.21。

硫代二丙酸还有哪些别名？

别名/同义词：硫代二丙酸、Thiodipropionic Acid。

硫代二丙酸的登记用途是什么？

硫代二丙酸属于哪个分类？

所属分类：抗氧化剂。

PubChem 公开数据

硫代二丙酸（CAS 111-17-1）的独立参考数据，整理自公开化学数据库。

各数据库的登记标识

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

计算分子描述符

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

在册的理化数值

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

在册的记载用途

同义词与商品名

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

已收录的法规名录

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 危害分类

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

H318 (69.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

H319 (30.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

公开数据库对它的描述

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].

物理形态与操作说明

数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。