EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

gamma-thiobutyrolactone
2-oxothiolane

Supplier Sponsors

Name:thiolan-2-one
CAS Number: 1003-10-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:213-700-8
FDA UNII:A3ERZ734SN
Nikkaji Web:J36.541F
Beilstein Number:0105273
MDL:MFCD00005479
XlogP3-AA:0.70 (est)
Molecular Weight:102.15602000
Formula:C4 H6 O S
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:1923 2-oxothiolane
FEMA Number:4570 2-oxothiolane
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):1003-10-7 ; 2-OXOTHIOLANE
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.17500 to 1.18500 @ 20.00 °C.
Pounds per Gallon - (est).: 9.789 to 9.872
Refractive Index:1.51800 to 1.52800 @ 20.00 °C.
Boiling Point: 195.00 to 197.00 °C. @ 760.00 mm Hg
Boiling Point: 39.00 to 40.00 °C. @ 1.00 mm Hg
Vapor Pressure:0.380000 mmHg @ 25.00 °C. (est)
Flash Point: 189.00 °F. TCC ( 87.22 °C. )
logP (o/w): 1.039 (est)
Soluble in:
 alcohol
 water, 3.525e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: garlic
Odor Strength:high ,
recommend smelling in a 0.01 % solution or less
burnt garlic
Odor Description:at 0.01 % in propylene glycol. burnt garlic
Flavor Type: burnt
burnt chemical
Taste Description: burnt chemical
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
4-Thiobutyrolactone
Santa Cruz Biotechnology
For experimental / research use only.
gamma-Thiobutyrolactone 98%
Sigma-Aldrich: Aldrich
For experimental / research use only.
gamma-Thiobutyrolactone 98%
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
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
 
Safety in Use Information:
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 ppmaverage maximum ppm
baked goods: 0.002000.02000
beverages(nonalcoholic): 0.000300.00300
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 0.020000.20000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: 0.020000.20000
fish products: --
frozen dairy: 0.000600.00600
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.002000.02000
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: --
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):1003-10-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :13852
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
thiolan-2-one
Chemidplus:0001003107
RTECS:XN1930000 for cas# 1003-10-7
 
References:
 thiolan-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):13852
Pubchem (sid):134979589
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
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
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 coffee roasted coffee
Search PMC Picture
 
Synonyms:
4-butyrothiolactone
 dihydro-2-(3H)-thiophenone
 dihydro-2(3H)-thiophenone
 dihydro-thiophen-2-one
 dihydrothiophen-2(3H)-one
 tetrahydro-2-thiophenone
2-oxotetrahydrothiophene
 thiacyclopentan-2-one
4-thiobutyrolactone
g-thiobutyrolactone
 thiolan-2-one
2-oxothiolane
2(3H)-thiophenone, dihydro-
2-thiophenone, tetrahydro-
2(3H)-thiophenone,dihydro-
 
 
Notes:
Component of roasted coffee beans
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