CAS 111-17-1|THIODIPROPIONIC ACID

Introduction:Basic information about CAS 111-17-1|THIODIPROPIONIC ACID, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameTHIODIPROPIONIC ACID
CAS Number111-17-1Molecular Weight178.206
Density1.4±0.1 g/cm3Boiling Point409.3±30.0 °C at 760 mmHg
Molecular FormulaC6H10O4SMelting Point131-134 °C(lit.)
MSDSChineseUSAFlash Point201.3±24.6 °C
Symbol
GHS07
Signal WordWarning

Names

Name3,3'-Thiodipropionic acid
SynonymMore Synonyms

Chemical & Physical Properties

Density1.4±0.1 g/cm3
Boiling Point409.3±30.0 °C at 760 mmHg
Melting Point131-134 °C(lit.)
Molecular FormulaC6H10O4S
Molecular Weight178.206
Flash Point201.3±24.6 °C
Exact Mass178.029984
PSA99.90000
LogP0.27
Vapour Pressure0.0±2.0 mmHg at 25°C
Index of Refraction1.539
InChIKeyODJQKYXPKWQWNK-UHFFFAOYSA-N
SMILESO=C(O)CCSCCC(=O)O
Water Solubility40 g/L (25 ºC)

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 WordWarning
Hazard StatementsH319
Precautionary StatementsP305 + P351 + P338
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Gloves
Hazard CodesXi:Irritant;
Risk PhrasesR36/37/38
Safety PhrasesS26-S36-S37/39
RIDADRNONH for all modes of transport
WGK Germany2
RTECSUF7990000
HS Code29309070

Customs

HS Code2930909090
Summary2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Synonyms

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-
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