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
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
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
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) ...
Identification of a new class of biopolymer: bacterial synthesis of a sulfur-containing polymer with thioester linkages.Microbiology 147(Pt 1) , 11-9, (2001)
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...