4-BUTYROTHIOLACTONE

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Names

[ CAS No. ]:
1003-10-7

[ Name ]:
4-BUTYROTHIOLACTONE

[Synonym ]:
Thiacyclopentan-2-one
EINECS 213-700-8
Thiobutyrolactone
2(3H)-Thiophenone,dihydro
2-Oxothiolane
dihydrothiophen-2(3H)-one
4-Butyrothiolactone
Tetrahydro-2-thiophenone
5-oxotetrahydrothiophene
MFCD00005479
4-Thiobutyrolactone
2-THIOPHENONE,TETRAHYDRO

Chemical & Physical Properties

[ Density]:
1.206g/cm3

[ Boiling Point ]:
197.4ºC at 760mmHg

[ Melting Point ]:
138 °C

[ Molecular Formula ]:
C4H6OS

[ Molecular Weight ]:
102.15500

[ Flash Point ]:
87.6ºC

[ Exact Mass ]:
102.01400

[ PSA ]:
42.37000

[ LogP ]:
1.04000

[ Vapour Pressure ]:
0.38mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.523(lit.)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XN1930000
CHEMICAL NAME :
2-Thiophenone, tetrahydro-
CAS REGISTRY NUMBER :
1003-10-7
BEILSTEIN REFERENCE NO. :
0105273
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C4-H6-O-S
MOLECULAR WEIGHT :
102.16
WISWESSER LINE NOTATION :
T5SVTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1860 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 3,249,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
199 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,846,1971

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
22

[ Safety Phrases ]:
S36

[ RIDADR ]:
UN3334 9

[ RTECS ]:
XN1930000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • dihydro-2(3H)-thiophenethione
  • Thietane
  • carbon monoxide
  • 4-Bromobutanoyl chloride
  • 3-bromopropylsulfanylmethylbenzene
  • 4-Mercaptobutanoic acid
  • 1-nitrosopyrrolidin-2-one
  • Thiophane
  • gamma-Butyrolactone

DownStream

  • 3-carboxypropyl disulfide
  • 4-Mercaptobutanoic acid
  • 4-MERCAPTO-1-BUTANOL
  • 2-diazonio-1-ethoxy-1-oxo-6-sulfanylhex-2-en-3-olate
  • 4-sulfanylbutanamide
  • ethyl 4-sulfanylbutanoate
  • 3-acetylthiolan-2-one
  • 3-(hydroxymethyl)thiolan-2-one
  • 4-((3-Ethoxy-3-oxo-1-propenyl)thio)butanoic acid
  • trans-3-(3'-Carboxypropylthio)acrylsaeureethylester

Articles

A Novel Synthesis of Poly(ester-alt-sulfide)s by the Ring-Opening Alternating Copolymerization of Oxiranes with gamma-Thiobutyrolactone Using Quaternary Onium Salts or Crown Ether Complexes as Catalysts.

Macromolecules 31(15) , 4746-52, (1998)

Poly(ester-alt-sulfide) (polymer 1) was synthesized by the alternating copolymerization of glycidyl phenyl ether (GPE) with gamma-thiobutyrolactone (TBL) catalyzed by either quaternary onium salts or ...

Metabolic response against sulfur-containing heterocyclic compounds by the lignin-degrading basidiomycete Coriolus versicolor.

Appl. Microbiol. Biotechnol. 58(4) , 517-26, (2002)

The fungal conversions of sulfur-containing heterocyclic compounds were investigated using the lignin-degrading basidiomycete Coriolus versicolor. The fungus metabolized a series of sulfur compounds--...

Mechanism of hydrolysis and aminolysis of homocysteine thiolactone.

Chemistry 12(15) , 4144-52, (2006)

Homocysteine thiolactone (tHcy) is deemed a risk factor for cardiovascular diseases and strokes, presumably because it acylates the side chain of protein lysine residues ("N-homocysteinylation"), ther...


More Articles

Related Compounds

  • 4-Amino-2-chloro-5-(1H-tetrazol-5-yl)benzenesulfonamide
  • 4-(4-Chlorophenyl)-4-Bromopiperide
  • 4-(2-nitroimidazol-1-yl)butane-1,2-diol
  • 4-Iodo-1H-indazole-3-carboxylic acid
  • 4-chlorooxolan-3-ol,formic acid
  • 4,6-Pyrimidinedicarboxylic acid
  • 1-Chloro-4-cyclopropoxy-2-fluorobenzene
  • 1-Chloro-4-cyclopropoxy-2-iodobenzene
  • 2-Chloro-5-cyclopropoxyaniline
  • 4-(3-Ethylimidazole-4-carbonyl)benzonitrile
  • 2-(4-Chloro-2-methylphenoxy)-5-fluorobenzaldehyde
  • 5-Fluoro-2-phenoxybenzoic acid
  • 6-(3-Pyridyl)pyridine-2-boronic acid pinacol ester
  • 2-(4-Chloro-3-ethylphenoxy)-5-fluorobenzaldehyde
  • N-(1-cyanocyclohexyl)-2-[(4-hydroxyphenyl)sulfanyl]acetamide
  • 3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pyrazin-2-amine
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