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methyl thiofuryl butanal
3-[(2-methyl-3-furyl)thio]butanal

Supplier Sponsors

CAS Number: 915971-43-6Picture of molecule3D/inchi
FDA UNII:YW47186L5A
Molecular Weight:184.25804000
Formula:C9 H12 O2 S
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Racemate (EFFA, 2010a)
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
JECFA Food Flavoring:2095 3-[(2-methyl-3-furyl)thio]butanal
FLAVIS Number:13.199 (Old)
DG SANTE Food Flavourings:13.199 3-[(2-methyl-3-furyl)thio]butanal
FEMA Number:4501 3-[(2-methyl-3-furyl)thio]butanal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-[(2-METHYL-3-FURYL)THIO]BUTANAL
 
Physical Properties:
Appearance:yellow to pale orange clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.10100 to 1.12100 @ 25.00 °C.
Pounds per Gallon - (est).: 9.161 to 9.328
Refractive Index:1.51550 to 1.52220 @ 20.00 °C.
Melting Point: 198.00 °C. @ 760.00 mm Hg
Boiling Point: 197.00 to 198.00 °C. @ 760.00 mm Hg
Acid Value: 0.50 max. KOH/g
Soluble in:
 water, 449.2 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
meaty roasted
Odor Description:at 0.10 % in propylene glycol. meaty roasted
Flavor Type: meaty
meaty juicy
Taste Description: meaty juicy powerfull
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
methyl thiofuryl butanal
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 methyl thiofuryl butanal usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 49 (μg/person/day)
Adequate NOAEL exists: Yes
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: 24
 average usual ppmaverage maximum ppm
baked goods: 0.050000.10000
beverages(nonalcoholic): 0.002000.00500
beverages(alcoholic): 0.005000.01000
breakfast cereal: 0.005000.01000
cheese: --
chewing gum: 0.050000.10000
condiments / relishes: 0.005000.01000
confectionery froastings: 0.005000.01000
egg products: 0.005000.01000
fats / oils: 0.050000.10000
fish products: 0.050000.10000
frozen dairy: 0.005000.01000
fruit ices: 0.001000.00300
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.001000.00200
imitation dairy: 0.001000.00200
instant coffee / tea: 0.001000.00200
jams / jellies: 0.001000.00200
meat products: 0.050000.20000
milk products: 0.005000.01000
nut products: 0.001000.00300
other grains: 0.001000.00200
poultry: 0.050000.10000
processed fruits: 0.001000.00300
processed vegetables: 0.001000.00300
reconstituted vegetables: 0.001000.00300
seasonings / flavors: 5.0000020.00000
snack foods: 0.001000.00300
soft candy: 0.002000.00500
soups: 0.050000.10000
sugar substitutes: --
sweet sauces: 0.020000.05000
 
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): 0.005000.01000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.050000.10000
Edible ices, including sherbet and sorbet (03.0): 0.001000.00300
Processed fruit (04.1): 0.001000.00300
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 0.001000.00300
Confectionery (05.0): 0.005000.01000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.005000.01000
Bakery wares (07.0): 0.050000.10000
Meat and meat products, including poultry and game (08.0): 0.050000.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.050000.10000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.050000.10000
Foodstuffs intended for particular nutritional uses (13.0): 0.005000.01000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.002000.00500
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.005000.01000
Ready-to-eat savouries (15.0): 2.0000010.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.005000.01000
 
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):

Scientific Opinion on Flavouring Group Evaluation 13Rev1: Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
View page or View pdf

Consideration of sulfur-substituted furan derivatives used as flavouring agents evaluated by JECFA (59th meeting) structurally related to a subgroup of substances within the group of “Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14” evaluated by EFSA in FGE.13Rev1 (2009)
View page or View pdf

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 13, Revision 2 (FGE.13Rev2): Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
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

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :71587866
National Institute of Allergy and Infectious Diseases:Data
3-(2-methylfuran-3-yl)sulfanylbutanal
Chemidplus:0915971436
 
References:
 3-(2-methylfuran-3-yl)sulfanylbutanal
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):71587866
Pubchem (sid):163642898
 
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 Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
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
alliaceous
dimethyl trisulfide
FL/FR
caramellic
strawberry furanone
FL/FR
chocolate
2,6-
dimethyl pyrazine
FL/FR
coffee
furfuryl mercaptan
FL/FR
fresh
10-
undecen-1-yl acetate
FL/FR
fruity
3-
mercaptohexyl acetate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
prunus amygdalus amara seed extract
FL/FR
(E)-2-
undecenal
FL/FR
green
(E,Z)-2,6-
nonadienal
FL/FR
meaty
meaty dithiane
FL/FR
sulfurol
FL/FR
sulfuryl acetate
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
nutty
2-
ethyl-4-methyl thiazole
FL/FR
filbert heptenone
FL/FR
2,6-
lutidine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
roasted
trigonella foenum-graecum seed oil CO2 extract
FL/FR
smoky
2,6-
dimethoxyphenol
FL/FR
pyroligneous acids
FL/FR
sulfurous
benzothiazole
FL/FR
fish thiol
FL/FR
furfuryl thioacetate
FL/FR
2-
mercaptopropionic acid
FL/FR
methyl mercaptan
FL/FR
2-(
methyl thio) phenol
FL/FR
For Flavor
No flavor group found for these
4-
acetyl-2-methyl pyrimidine
FL
1,2-
butane dithiol
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
2-
ethyl-3-methyl thiopyrazine
FL
methyl dihydrofuran thiol
FL
2-
methyl-3-(methyl thio) pyrazine
FL/FR
3-((2-
methyl-3-furyl)thio)-4-heptanone
FL
4-((2-
methyl-3-furyl)thio)-5-nonanone
FL
thioacetic acid
FL
3,7-
dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL
2-
methyl-1-methyl thio-2-butene
FL
3-
methyl-1,2,4-trithiane
FL
alliaceous
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
dimethyl trisulfide
FL/FR
garlic oil extenders
FL
3-
mercapto-2-pentanone
FL
bacon
bacon reaction crispy
FL
burnt
1,6-
hexane dithiol
FL
caramellic
strawberry furanone
FL/FR
chemical
2,5-
dimethyl furan
FL
coffee
2-
ethyl-4-methyl thiazole
FL/FR
furfuryl mercaptan
FL/FR
methyl furfuryl mercaptopropionate
FL
methyl furfuryl thiol
FL
earthy
(±)-2-
mercapto-5-methylheptan-4-one
FL
1,8-
octane dithiol
FL
2-
thienyl disulfide
FL
fatty
pork
fat extract
FL
(E)-7-
methyl-3-octen-2-one
FL/FR
fruity
2-
ethyl-2,5-dihydro-4-methyl thiazole
FL
greasy
10-
undecen-1-yl acetate
FL/FR
green
4-
methyl thiazole
FL
(E,Z)-2,6-
nonadienal
FL/FR
meaty
4-
allyl-2,6-dimethoxyphenol
FL
bacon flavor
FL
beef broth flavor
FL
roast
beef flavor
FL
beef flavor
FL
BBQ
beef flavor
FL
beef flavor base
FL
benzothiazole
FL/FR
chicken bone extract
FL
chicken extract
FL
chicken flavor
FL
grilled
chicken flavor
FL
chicken key
FL
2,6-
dimethyl thiophenol
FL
2,5-
dimethyl-3-furan thiol
FL
2',3-
dimethyl-3',4-dioxa-2,8-dithiabicyclo(3.3.0)octane spirocyclopentane
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
ethyl 2-hydroxyethyl sulfide
FL
furfuryl 2-methyl-3-furyl disulfide
FL
4-
furfuryl thio-2-pentanone
FL
ham enhancers
FL
ham flavor
FL
hot dog flavor
FL
lamb flavor
FL
liver flavor
FL
meat broth concentrates
FL
meat flavors
FL
meaty dithiane
FL/FR
meaty enhancers
FL
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-butanol
FL
3-
mercapto-3-methyl butanol
FL
2-
mercaptomethyl pyrazine
FL
2-
mercaptopropionic acid
FL/FR
2-
methyl 3-(methyl thio) furan
FL
2-(
methyl thio) phenol
FL/FR
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
2-
methyl-3-tetrahydrofuran thiol
FL
2-
methyl-3-thioacetoxytetrahydrofuran
FL
phenyl mercaptan
FL
roasted
pork flavor
FL
pork flavor
FL
grilled
pork flavor
FL
propyl 2-mercaptopropionate
FL
pyrazinyl ethane thiol
FL
2-
pyridinyl methane thiol
FL
rabbit flavor
FL
grilled
steak flavor
FL
sulfurol
FL/FR
sulfuryl acetate
FL/FR
thialdine
FL
ortho-
thiocresol
FL
ortho-
thioguaiacol
FL
roast
turkey flavor
FL
turkey flavor
FL
smoked
turkey flavor
FL
veal flavor
FL
venison flavor
FL
medicinal
2,6-
dimethoxyphenol
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
nutty
2-
acetyl-4-methyl thiazole
FL
2,6-
dimethyl pyrazine
FL/FR
filbert heptenone
FL/FR
2,6-
lutidine
FL/FR
nutty thiazole
FL
prunus amygdalus amara seed extract
FL/FR
phenolic
2-
ethyl benzene thiol
FL
roasted
3,5-
diisobutyl-1,2,4-trithiolane
FL
furfuryl thioacetate
FL/FR
trigonella foenum-graecum seed oil CO2 extract
FL/FR
savory
2,4,6-
triethyl tetrahydro-1,3,5-dithiazine
FL
smoky
pyroligneous acids
FL/FR
spicy
hot spicy
beef flavor
FL
sulfurous
butyl mercaptan
FL
fish thiol
FL/FR
furfuryl thiopropionate
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl mercaptan
FL/FR
3-
methyl-2-butane thiol
FL
2-
naphthyl mercaptan
FL
3-
pentane thiol
FL
roasted butanol
FL
tropical
3-
mercaptohexyl acetate
FL/FR
waxy
(E)-2-
undecenal
FL/FR
yeasty
faex extracts
FL
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 coffee roasted coffee
Search PMC Picture
 
Synonyms:
 butanal, 3-((2-methyl-3-furanyl)thio)-
3-((2-methyl furan-3-yl)sulfanyl) butanal
3-((2-methyl-3-furyl)sulfanyl)butanal
3-((2-methyl-3-furyl)thio) butanal
(+-)-3-((2-methyl-3-furyl)thio)butanal
3-((2-methyl-3-furyl)thio)butanal
3-((2-methyl-3-furyl)thio)butanal, (+-)-
3-[(2-methyl-3-furyl)thio]-butanal
3-[(2-methyl-3-furyl)thio]butanal
3-((2-methylfuran-3-yl)sulfanyl)butanal
3-(2-methylfuran-3-yl)sulfanylbutanal
 methylthiofuryl butanal
 methylthiofurylbutanal
 

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