gamma-thiobutyrolactone

General Material Information

Preferred name	gamma-thiobutyrolactone
Trivial Name	Thiobutyrolactone
Short Description	2-oxothiolane
Formula	C4 H6 O S
CAS Number	1003-10-7
FEMA Number	4570
ECHA Number	213-700-8
FDA UNII	A3ERZ734SN
Nikkaji Number	J36.541F
Beilstein Number	0105273
MDL	MFCD00005479
xLogP3-AA	0.70 (est)
Bio Activity Summary	External link
NMR Predictor	External link
JECFA Food Flavoring	1923 2-oxothiolane
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	1003-10-7 ; 2-OXOTHIOLANE
Synonyms	4-butyrothiolactone dihydro-2-(3H)-thiophenone dihydro-2(3H)-thiophenone dihydro-thiophen-2-one dihydrothiophen-2(3H)-one tetrahydro-2-thiophenone 2-oxo tetrahydrothiophene thiacyclopentan-2-one 4-thiobutyrolactone g- thiobutyrolactone thiolan-2-one 2-oxo thiolane 2(3H)- thiophenone, dihydro- 2-thiophenone, tetrahydro- 2(3H)- thiophenone,dihydro- 2(3H)-Thiophenone, dihydro- Butyric acid, 4-mercapto-, γ-(thiolactone) γ-Thiobutyrolactone 4-Thiobutyrolactone Butanoic acid, 4-mercapto-, γ-(thiolactone) Thiacyclopentanone-2 4-Butyrothiolactone 2-Oxotetrahydrothiophene Thiobutyrolactone Tetrahydrothiophene-2-one NSC 54087 2-Oxothiolane

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):	View
CHEBI:	View
CHEMBL:	View
HMDB (The Human Metabolome Database):	HMDB31253
FooDB:	FDB003286
Export Tariff Code:	2932.29.5050
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
FAO:	2-Oxothiolane

BOC Sciences	Endeavour Specialty Chemicals
Robinson Brothers	Santa Cruz Biotechnology
Sigma-Aldrich: Aldrich

Material listed in food chemical codex	No
Molecular weight	102.15602111816
Specific gravity	@ 20 °C
Pounds per Gallon	9.789 to 9.872
Refractive Index	1.518 to 1.528 @ 20 °C
Boiling Point	195 to 197°C @ 760 mm Hg
Boiling Point	39 to 40°C @ 1 mm Hg
Vapor Pressure	0.38 mmHg @ 25 °C
Flash Point TCC Value	87.22 °C TCC
logP (o/w)	1.039 est
Solubility
alcohol	Yes
water, 3.525e+004 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Garlic
burnt, garlic
General comment	At 0.01 % in propylene glycol. burnt garlic
Flavor Type: Burnt
burnt, chemical
General comment	Burnt chemical

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/39 - Wear suitable clothing and eye/face protection.

Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LD50 199 mg/kg BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Medicinal Chemistry. Vol. 14, Pg. 846, 1971. oral-mouse LD50 1860 mg/kg Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Category:
flavoring agents
Recommendation for gamma-thiobutyrolactone usage levels up to:
	not for fragrance use.

Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 24
Click here to view publication 24
		average usual ppm	average maximum ppm
baked goods:		0.00200	0.02000
beverages(nonalcoholic):		0.00030	0.00300
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		0.02000	0.20000
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		0.02000	0.20000
fish products:		-	-
frozen dairy:		0.00060	0.00600
fruit ices:		-	-
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		0.00200	0.02000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	-
milk products:		-	-
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		-	-
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-