THIODIPROPIONIC ACID

Names

[ CAS No. ]:
111-17-1

[ Name ]:
THIODIPROPIONIC ACID

[Synonym ]:
THIODIPROPIONIC ACID
3,3'-Sulfanediyldipropanoic acid
EINECS 203-841-3
3,3'-Thiodipropionic acid
3-(2-carboxyethylsulfanyl)propanoic acid
MFCD00002781
Propanoic acid, 3,3'-thiobis-

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
409.3±30.0 °C at 760 mmHg

[ Melting Point ]:
131-134 °C(lit.)

[ Molecular Formula ]:
C₆H₁₀O₄S

[ Molecular Weight ]:
178.206

[ Flash Point ]:
201.3±24.6 °C

[ Exact Mass ]:
178.029984

[ PSA ]:
99.90000

[ LogP ]:
0.27

[ Vapour Pressure ]:
0.0±2.0 mmHg at 25°C

[ Index of Refraction ]:
1.539

[ Water Solubility ]:
40 g/L (25 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UF7990000

CHEMICAL NAME :: Propionic acid, 3,3'-thiodi-

CAS REGISTRY NUMBER :: 111-17-1

LAST UPDATED :: 199707

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C6-H10-O4-S

MOLECULAR WEIGHT :: 178.22

WISWESSER LINE NOTATION :: QV2S2VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,998,1986

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,998,1986 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AFREAW Advances in Food Research. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1-32, 1948-88. Volume(issue)/page/year: 3,197,1951

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AFREAW Advances in Food Research. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1-32, 1948-88. Volume(issue)/page/year: 3,197,1951

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 150 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 11,25,1992

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AFREAW Advances in Food Research. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1-32, 1948-88. Volume(issue)/page/year: 3,197,1951

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 250 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AFREAW Advances in Food Research. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1-32, 1948-88. Volume(issue)/page/year: 3,197,1951

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 175 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AFREAW Advances in Food Research. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1-32, 1948-88. Volume(issue)/page/year: 3,197,1951 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - A1233 No. of Facilities: 28 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 1288 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1233 No. of Facilities: 8 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 787 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H319

[ Precautionary Statements ]:
P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
UF7990000

[ HS Code ]:
29309070

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Effects of subsequent antioxidant treatment on 7,12-dimethylbenz[a]anthracene-initiated carcinogenesis of the mammary gland, ear duct and forestomach in Sprague-Dawley rats.

Carcinogenesis 9(1) , 101-4, (1988)

The effects of the antioxidants tetramethyl-p-phenylenediamine (TMPD), propyl gallate (PG), quercetin (QC), 2-tert-butyl-4-methylphenol (TBMP), tert-butylhydroquinone (TBHQ), 3,3'-thiodipropionic acid...

Dialkyl 3,3'-thiodipropionate and dialkyl 2,2'-thiodiacetate antioxidants by lipase-catalyzed esterification and transesterification.

J. Agric. Food Chem. 54(8) , 2957-63, (2006)

Medium- and long-chain dialkyl 3,3'-thiodipropionate antioxidants such as dioctyl 3,3'-thiodipropionate, didodecyl 3,3'-thiodipropionate, dihexadecyl 3,3'-thiodipropionate, and di-(cis-9-octadecenyl) ...

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This is the first report on the biosynthesis of a hitherto unknown, sulfur-containing polyester and also the first report on a bacterial polymer containing sulfur in the backbone. The Gram-negative po...