CAS No.111-17-1,3,3'-Thiodipropionic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	111-17-1
Name:	3,3'-Thiodipropionic acid
Article Data:	28

Formula:	C₆H₁₀O₄S
Molecular Weight:	178.209
Synonyms:	Propionicacid, 3,3'-thiodi- (6CI,8CI);3,3'-Thiobis(propanoic acid);3,3'-Thiodipropanoic acid;4-Thiaheptanedioic acid;Bis(2-carboxyethyl) sulfide;Diethyl sulfide 2,2'-dicarboxylic acid;NSC 65523;NSC 8166;TDPA;Thiodihydracrylic acid;Thiodipropionic acid;Tyox A;b,b'-Thiodipropionic acid;
EINECS:	203-841-3
Density:	1.362 g/cm³
Melting Point:	131-134 °C(lit.)
Boiling Point:	409.3 °C at 760 mmHg
Flash Point:	201.3 °C
Solubility:	40 g/L (25 °C) in water
Appearance:	White fine crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38-36
Safety:	26-36-37/39
PSA:	99.90000
LogP:	0.66900

Synthetic route

: 79-10-7
acrylic acid

A: 111-17-1
4-thiaheptane-1,7-dioic acid

B: 107-96-0
3-mercaptopropionic acid

Conditions

Conditions	Yield
Stage #1: acrylic acid With sodium hydroxide In water at 45 - 50℃; for 0.5h; Stage #2: With hydrogen sulfide In water at 45 - 100℃; Concentration; Time;	A n/a B 94.4%
Stage #1: acrylic acid With sodium hydroxide In water at 45 - 50℃; for 0.5h; Stage #2: With hydrogen sulfide In water at 45 - 100℃; for 9.46h; Stage #3: With sulfuric acid; iron In water for 2.5h; Concentration; Reagent/catalyst; Inert atmosphere;

: 3680-08-8
3,3'-sulfinyldipropionic acid

: 111-17-1
4-thiaheptane-1,7-dioic acid

Conditions

Conditions	Yield
With silica bromide In dichloromethane at 20℃; for 0.166667h; Inert atmosphere;	94%

: 111-97-7
3,3'-thiobis-propanenitrile

: 111-17-1
4-thiaheptane-1,7-dioic acid

Conditions

Conditions	Yield
With water for 48h; Rhodococcus rhodochrous AJ270;	60%
With potassium phosphate buffer; Rhodococcus sp. AJ270 at 30℃; for 48h;	60%
With hydrogenchloride

: 57-57-8
β-Propiolactone

: 5466-06-8
3-mercaptopropionic acid ethyl ester

: 111-17-1
4-thiaheptane-1,7-dioic acid

Conditions

Conditions	Yield
With sodium hydroxide at 10℃; folgende Verseifung in der Siedehitze;

: 57-57-8
β-Propiolactone

: 111-17-1
4-thiaheptane-1,7-dioic acid

Conditions

Conditions	Yield
With sodium sulfide; water at 200℃;

: 57-57-8
β-Propiolactone

A: 111-17-1
4-thiaheptane-1,7-dioic acid

B: 107-96-0
3-mercaptopropionic acid

Conditions

Conditions	Yield
With sodium sulfide; water

: 141-76-4
3-iodopropanoic acid

A: 111-17-1
4-thiaheptane-1,7-dioic acid

B: 107-96-0
3-mercaptopropionic acid

Conditions

Conditions	Yield
With potassium hydrosulfide
With alkali hydrosulfide

: 3680-08-8
3,3'-sulfinyldipropionic acid

: 68-11-1
mercaptoacetic acid

A: 111-17-1
4-thiaheptane-1,7-dioic acid

B: 505-73-7
disulfanediyldiacetic acid

Conditions

Conditions	Yield
at 60℃; Rate constant;

...Expand

: 107-13-1
acrylonitrile

: 111-17-1
4-thiaheptane-1,7-dioic acid

Conditions

Conditions	Yield
With potassium hydroxide; hydrogen sulfide at 15 - 25℃; folgende Verseifung mit verduennter Natronlauge bei 65grad;

: 292638-85-8
acrylic acid methyl ester

: 107-96-0
3-mercaptopropionic acid

: 111-17-1
4-thiaheptane-1,7-dioic acid

Conditions

Conditions	Yield
With hydrogenchloride

Raw Materials

111-97-7

68-11-1

79-10-7

123-31-9

Downstream Products

693-36-7

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Chemistry

Molecular Structure of BIS(2-CARBOXYETHYL) SULFIDE(111-17-1):

IUPAC Name:3-(2-carboxyethylsulfanyl)propanoic acid
Molecular Formula:C₆H₁₀O₄S
Molecular Weight:178.206200 g/mol
Appearance:white crystalline powder
Melting Point:131-134 °C(lit.)
Density:1.362 g/cm³
Flash Point:201.3 °C
Enthalpy of Vaporization:72.57 kJ/mol
Boiling Point:409.3 °C at 760 mmHg
Vapour Pressure:7.61E-08 mmHg at 25 °C
Water Solubility:1.974e+005 mg/L at 25 °C
BRN:1210299
EINECS:203-841-3
Synonyms of BIS(2-CARBOXYETHYL) SULFIDE(111-17-1):
3,3'-THIODIPROPIONIC ACID;3,3-THIODIPROPIONIC ACID;3,3'-THIODIPROPIONIC ACID, POLYMER-BOUND;DIETHYL SULFIDE 2,2'-DICARBOXYLIC ACID;BIS(2-CARBOXYETHYL) SULFIDE;BETA,BETA'-THIODIPROPIONIC ACID;RARECHEM AL BO 0314;3,3'-Thiodipropionic acid
Categories of BIS(2-CARBOXYETHYL) SULFIDE(111-17-1):
Others;Supported Reagents;Supported Synthesis

Uses

BIS(2-CARBOXYETHYL) SULFIDE(111-17-1) is an antioxidant and also used for the production of thio-esters antioxidant.

Toxicity Data With Reference

1.	skn-rbt 500 mg/24H MLD	28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,171.
2.	eye-rbt 20 mg/24H MOD	28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,171.
3.	orl-rat LD50:3980 mg/kg	28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,171.
4.	ipr-rat LD50:500 mg/kg	AFREAW Advances in Food Research. 3 (1951),197.
5.	orl-mus LD50:2000 mg/kg	AFREAW Advances in Food Research. 3 (1951),197.
6.	ipr-mus LD50:250 mg/kg	AFREAW Advances in Food Research. 3 (1951),197.
7.	ivn-mus LD50:175 mg/kg	AFREAW Advances in Food Research. 3 (1951),197.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

The safety information of BIS(2-CARBOXYETHYL) SULFIDE(111-17-1) is as follows:
Hazard Codes:Xi

Risk Statements:36/37/38-36
36/37/38:Irritating to eyes, respiratory system and skin
36:Irritating to the eyes
Safety Statements:26-36-37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
37/39:Wear suitable gloves and eye/face protection
WGK Germany:2
RTECS:UF7990000
HS Code:29309070
A poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. A skin and eye irritant. When heated to decomposition it emits toxic fumes of SO_x. See also SULFIDES.

Specification

Storage information of BIS(2-CARBOXYETHYL) SULFIDE(111-17-1):
Store in a cool, dry place. Store in a tightly closed container.