4-BUTYROTHIOLACTONE

Names

[ 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

DownStream

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...