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

(±)-3-((2-methyl-3-furyl)thio)-2-butanone
(+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone

Supplier Sponsors

Name:3-[(2-methylfuran-3-yl)sulfanyl]butan-2-one
CAS Number: 61295-44-1Picture of molecule3D/inchi
FDA UNII: 9R89X7164W
XlogP3-AA:2.10 (est)
Molecular Weight:184.25804000
Formula:C9 H12 O2 S
NMR Predictor:Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments:
CASrn in Register is not valid; CASrn to be changed to: 61295-44-1 (The Good Scents Company, 2011). Reister name to be changed to 3-((2-Methyl-3-furyl)thio)-2-butanone. Racemate.
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:1525 3-[(2-methyl-3-furyl)thio]-2-butanone
DG SANTE Food Flavourings:13.190 3-((2-methyl-3-furyl)thio)-2-butanone
FEMA Number:4056 (+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):61295-44-1 ; (+/-)-3-[(2-METHYL-3-FURYL)THIO]-2-BUTANONE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.10400 to 1.11000 @ 25.00 °C.
Pounds per Gallon - (est).: 9.186 to 9.236
Refractive Index:1.51000 to 1.51600 @ 20.00 °C.
Boiling Point: 70.00 °C. @ 0.75 mm Hg
Boiling Point: 239.00 to 240.00 °C. @ 760.00 mm Hg (est)
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.040000 mmHg @ 25.00 °C. (est)
Flash Point: 209.00 °F. TCC ( 98.60 °C. ) (est)
logP (o/w): 2.004 (est)
Soluble in:
 alcohol
 triacetin
 water, very slightly
 water, 1352 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: spicy
spicy floral
Odor Description:at 0.10 % in dipropylene glycol. spicy floral
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
2-Butanone, 3-[(2-methyl-3-furanyl)thio]-
Endeavour Specialty Chemicals
3-(2-Methyl-3-furylthio)butan-2-one
Speciality Chemical Product Groups
Parchem
(±)-3-((2-Methyl-3-furyl)thio)-2-butanone
Penta International
3-(2-METHYL-3-FURYLTHIO)-2-BUTANONE
R C Treatt & Co Ltd
3-(2-Methyl-3-furylthio)butan-2-one
Robinson Brothers
3-(2-Methyl-3-furylthio)butan-2-one
https://www.robinsonbrothers.uk/chemistry-competences
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavoring agents
Recommendation for (±)-3-((2-methyl-3-furyl)thio)-2-butanone usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.02 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 200 (μg/person/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
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: 21
Click here to view publication 21
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.004000.04000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.001000.01000
milk products: --
nut products: --
other grains: --
poultry: 0.001000.01000
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 10.00000100.00000
snack foods: 0.001000.01000
soft candy: --
soups: 0.003000.03000
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): --
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): --
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): 0.00100-
Meat and meat products, including poultry and game (08.0): 0.00100-
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 10.00000-
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): 0.00100-
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
 
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 67 (FGE.67): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 67, Revision 1 (FGE.67Rev.1): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 67 Revision 2 (FGE.67Rev2): Consideration of 28 furan-substituted compounds evaluated by JECFA at the 55th, 65th and 69th meetings (JECFA, 2001, 2006a, 2009b)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 67, Revision 3 (FGE.67Rev3): consideration of 23 furan-substituted compounds evaluated by JECFA at the 55th, 65th, 69th and 86th meetings
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12980878
National Institute of Allergy and Infectious Diseases:Data
3-[(2-methylfuran-3-yl)sulfanyl]butan-2-one
Chemidplus:0061295441
 
References:
 3-[(2-methylfuran-3-yl)sulfanyl]butan-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12980878
Pubchem (sid):135343241
 
Other Information:
(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
HMDB (The Human Metabolome Database):HMDB32401
FooDB:FDB009835
ChemSpider:View
EFSA Update of results on the monitoring of furan levels in food:Read Report
EFSA Previous report: Results on the monitoring of furan levels in food:Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food:Read Report
 
Potential Blenders and core components note
For Odor
floral
cardamom absolute
FL/FR
iso
eugenyl ethyl acetal
FR
heliotropyl diethyl acetal
FR
(Z)-
jasmone
FL/FR
rose oil (rosa damascena) bulgaria
FL/FR
tuberose absolute (from concrete)
FL/FR
tuberose absolute (from pommade)
FL/FR
ylang ylang flower absolute
FL/FR
fruity
cinnamyl isobutyrate
FL/FR
herbal
clary sage absolute
FL/FR
american
elder flower absolute
FR
spicy
amyl isoeugenol
FR
homo
anisaldehyde
FL/FR
cananga leaf oil
FR
cinnamyl acetate
FL/FR
iso
cyclogeraniol (IFF)
FR
iso
eugenyl acetate
FL/FR
(E)-para-
methoxycinnamaldehyde
FL/FR
woody
rhubarb oxirane
FR
For Flavor
No flavor group found for these
homo
anisaldehyde
FL/FR
O-
ethyl S-(2-furyl methyl) thiocarbonate
FL
(E)-para-
methoxycinnamaldehyde
FL/FR
floral
floral
cardamom absolute
FL/FR
rose oil (rosa damascena) bulgaria
FL/FR
tuberose absolute (from concrete)
FL/FR
tuberose absolute (from pommade)
FL/FR
ylang ylang flower absolute
FL/FR
fruity
cinnamyl isobutyrate
FL/FR
green
(E,E)-2,4-
hexadienal
FL
herbal
clary sage absolute
FL/FR
spicy
cinnamyl acetate
FL/FR
iso
eugenyl acetate
FL/FR
4-
methyl biphenyl
FL
woody
(Z)-
jasmone
FL/FR
 
Potential Uses:
FRfloral
FLspice
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-butanone, 3-[(2-methyl-3-furanyl)thio]-
3-((2-methyl-3-furanyl)sulfanyl)-2-butanone
3-[(2-methyl-3-furanyl)sulfanyl]-2-butanone
3-(2-methyl-3-furyl thio)-2-butanone
3-[(2-methyl-3-furyl)sulfanyl]-2-butanone
3-[(2-methyl-3-furyl)sulfanyl]butan-2-one
3-((2-methyl-3-furyl)thio)-2-butanone
(+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone
(±)-3-[(2-methyl-3-furyl)thio]-2-butanone
3-[(2-methyl-3-furyl)thio]-2-butanone
3-(2-methyl-3-furylthio)-2-butanone
2-methyl-3-furylthio)butan-2-one
3-(2-methyl-3-furylthio)butan-2-one
3-[(2-methylfuran-3-yl)sulfanyl]butan-2-one
 
 
Notes:
Used as a food additive [EAFUS]
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