1-(3-hydroxy-5-methyl-2-thienyl) ethanone
1-(3-hydroxy-5-methyl-2-thienyl)ethanone
 
Notes:
Used as a food additive [EAFUS]
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CAS Number: 133860-42-1Picture of molecule3D/inchi
FDA UNII: U0W0KQ1EET
Molecular Weight: 156.20416000
Formula: C7 H8 O2 S
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: (Flavour Industry, 2004). Substance no longer supported by Industry (EFSA, 2011).
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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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: 1750  1-(3-hydroxy-5-methyl-2-thienyl)ethanone
FEMA Number: 4142 1-(3-hydroxy-5-methyl-2-thienyl)ethanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):133860-42-1 ; 1-(3-HYDROXY-5-METHYL-2-THIENYL)ETHANONE
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Physical Properties:
Appearance: white to pale yellow solid (est)
Assay: 98.30 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 73.00 to  76.00 °C. @ 760.00 mm Hg
Boiling Point: 268.00 to  269.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.004000 mmHg @ 25.00 °C. (est)
Flash Point: 245.00 °F. TCC ( 118.50 °C. ) (est)
logP (o/w): 1.473 (est)
Soluble in:
 alcohol
 water, slightly
 water, 3308 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: meaty
 
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 
 meaty  brown  cooked  roasted  
Odor Description:
at 0.10 % in propylene glycol. 
meaty brown cooked roasted
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
Ethanone, 1-(3-hydroxy-5-methyl-2-thienyl)- (9CI)
Parchem
1-(3-hydroxy-5-methyl-2-thienyl) ethanone
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
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Safety in Use Information:
Category: flavoring agents
Recommendation for 1-(3-hydroxy-5-methyl-2-thienyl) ethanone 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): ND (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): ND (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
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: 22
Click here to view publication 22
 average usual ppmaverage maximum ppm
baked goods: 0.200000.50000
beverages(nonalcoholic): 0.100000.30000
beverages(alcoholic): 0.100000.50000
breakfast cereal: 0.200000.50000
cheese: --
chewing gum: 2.000005.00000
condiments / relishes: --
confectionery froastings: 0.200000.40000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 0.100000.30000
gelatins / puddings: 0.100000.30000
granulated sugar: --
gravies: --
hard candy: 0.300000.50000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 0.200000.30000
meat products: --
milk products: 0.200000.30000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 3.000005.00000
snack foods: --
soft candy: 2.000005.00000
soups: --
sugar substitutes: --
sweet sauces: --
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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 93 (FGE.93): Consideration of sulphur heterocyclic evaluated by JECFA (68th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl evaluated by EFSA in FGE.21Rev1 (2009)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 93, Revision 1 (FGE.93Rev1): Consideration of sulphur containing heterocyclic compounds evaluated by JECFA (68th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives evaluated by EFSA in FGE.21Rev3
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 14837639
National Institute of Allergy and Infectious Diseases: Data
 1-(3-hydroxy-5-methylthiophen-2-yl)ethanone
Chemidplus: 0133860421
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References:
 1-(3-hydroxy-5-methylthiophen-2-yl)ethanone
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 14837639
Pubchem (sid): 135267266
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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): HMDB32334
FooDB: FDB009607
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
alliaceous
 dimethyl trisulfideFL/FR
 methyl furfuryl disulfideFL/FR
 rum etherFL/FR
2,6-dimethyl pyrazineFL/FR
coffee
 coffee difuranFL/FR
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
 nutty pyrazineFL/FR
fermented
 ethyl crotonateFL/FR
fruity
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
green
2-heptyl furanFL/FR
(E,Z)-2,6-nonadienalFL/FR
 meaty dithianeFL/FR
4-methyl nonanoic acidFL/FR
 sulfurolFL/FR
 sulfuryl acetateFL/FR
moldy
 strawberry furanone methyl etherFL/FR
musty
 hazelnut pyrazineFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
2-ethyl pyrazineFL/FR
2-ethyl-4-methyl thiazoleFL/FR
2-methyl pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
phenolic
2,3-dimethyl benzofuranFL/FR
ortho-guaiacolFL/FR
4-vinyl phenolFL/FR
 pyroligneous acidsFL/FR
 benzothiazoleFL/FR
 ethyl 2-mercaptopropionateFL/FR
 ethyl 3-mercaptopropionateFL/FR
 fish thiolFL/FR
2-mercaptopropionic acidFL/FR
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
2-(methyl thio) phenolFL/FR
1-phenethyl mercaptanFL/FR
tobacco
 methyl benzoxoleFL/FR
 
For Flavor
 
No flavor group found for these
4-acetyl-2-methyl pyrimidineFL
gamma-aminobutyric acidFL
 amyl mercaptanFL
1,2-butane dithiolFL
2-(2-butyl)-4,5-dimethyl-3-thiazolineFL
 cyclopropyl (E,Z)-2,6-nonadienamideFL
2,5-diethyl thiazoleFL
3,6-diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceriFL
 dihydro-2,4,6-trimethyl-1,3,5(4H)-dithiazineFL
 dimethyl tetrasulfideFL
2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanoneFL
bis(2,5-dimethyl-3-furyl) disulfideFL
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiolFL
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuranFL
2,5-dimethyl-3-thiofuroyl furanFL
 ethyl (E,Z)-2,6-nonadienamideFL
S-ethyl 2-acetyl aminoethane thioateFL
 ethyl 3-mercaptopropionateFL/FR
 ethyl 4-(acetyl thio) butyrateFL
3-(ethyl thio) butanolFL
2-ethyl-3-methyl thiopyrazineFL
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
2-hexyl thiopheneFL
3-mercapto-3-methyl butyl formateFL
4-mercapto-3-methyl-2-butanolFL
4-methoxybenzoyl oxyacetic acidFL
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
 methyl dihydrofuran thiolFL
2-methyl thiazolidineFL
2-(methyl thio) ethanolFL
2-methyl-1-butane thiolFL
4-methyl-2-(methyl thiomethyl)-2-hexenalFL
2-methyl-2-thiazolineFL
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-furyl tetrasulfideFL
3-((2-methyl-3-furyl)thio)-4-heptanoneFL
4-((2-methyl-3-furyl)thio)-5-nonanoneFL
1,9-nonane dithiolFL
 peanut dithiazineFL
1-phenethyl mercaptanFL/FR
1,3-propane dithiolFL
3-isopropenyl pentane dioic acidFL
 propyl 2-methyl-3-furyl disulfideFL
isopropyl disulfideFL
2-isopropyl-3-(methyl thio) pyrazineFL
 sodium methoxybenzoyl oxyacetateFL
 thiazoleFL
3-thienyl mercaptanFL
 thioacetic acidFL
5-acetyl-2,3-dihydro-1,4-thiazineFL
S-allyl-laevo-cysteineFL
3,5-diisopropyl-1,2,4-trithiolaneFL
N-(2-(3,4-dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amideFL
3,5-dimethyl-1,2,4-trithiolaneFL
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamideFL
2,4-dimethyl-3-oxazolineFL
4-mercapto-2-pentanone 1% in acetoinFL
(±)-3-(methyl thio) heptanalFL
3-(methyl thio) methyl thiopheneFL
2-methyl-1-methyl thio-2-buteneFL
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazineFL
1-(2-thienyl) butanoneFL
alliaceous
 allyl disulfideFL
 allyl mercaptanFL
1,3-butane dithiolFL
 cyclopentyl mercaptanFL
 dimethyl trisulfideFL/FR
3-mercapto-2-pentanoneFL
3-tetrahydrothiophenoneFL
 tropical thiazoleFL/FR
burnt
 bacon dithiazineFL
1,6-hexane dithiolFL
 rum etherFL/FR
chemical
2,3-dimethyl benzofuranFL/FR
2,5-dimethyl furanFL
cocoa
 butyraldehydeFL
coffee
 coffee difuranFL/FR
2-ethyl-4-methyl thiazoleFL/FR
 methyl furfuryl disulfideFL/FR
earthy
 difurfuryl sulfideFL
1,8-octane dithiolFL
eggy
isopropyl mercaptanFL
fatty
2-heptyl furanFL/FR
4-methyl nonanoic acidFL/FR
2-pentyl thiopheneFL
fruity
 tropical trithianeFL/FR
green
4-methyl thiazoleFL
(E,Z)-2,6-nonadienalFL/FR
4-penten-1-yl acetateFL
meaty
4-allyl-2,6-dimethoxyphenolFL
 benzothiazoleFL/FR
2,6-dimethyl thiophenolFL
2,5-dimethyl-3-furan thiolFL
1,1-ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%FL
 furfuryl 2-methyl-3-furyl disulfideFL
4-furfuryl thio-2-pentanoneFL
 meaty dithianeFL/FR
3-mercapto-2-butanoneFL
(R,S)-2-mercapto-3-butanolFL
2-mercaptomethyl pyrazineFL
2-mercaptopropionic acidFL/FR
2-methyl 3-(methyl thio) furanFL
2-(methyl thio) phenolFL/FR
 methyl thiofuryl butanalFL
12-methyl tridecanalFL
bis(2-methyl-3-furyl) disulfideFL
S-(2-methyl-3-furyl) ethane thioateFL
2-methyl-3-tetrahydrofuran thiolFL
2-methyl-3-thioacetoxytetrahydrofuranFL
 phenyl mercaptanFL
 propyl 2-mercaptopropionateFL
 pyrazinyl ethane thiolFL
2-pyridinyl methane thiolFL
 sulfurolFL/FR
 sulfuryl acetateFL/FR
 thialdineFL
ortho-thiocresolFL
ortho-thioguaiacolFL
metallic
2,5-dihydroxy-1,4-dithianeFL
moldy
 strawberry furanone methyl etherFL/FR
musty
 hazelnut pyrazineFL/FR
nutty
3-acetyl-2,5-dimethyl thiopheneFL
2-acetyl-4-methyl thiazoleFL
2-butyl-2-butenalFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2,6-dimethyl pyrazineFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
2-ethyl pyrazineFL/FR
 methyl benzoxoleFL/FR
2-methyl pyrazineFL/FR
 nutty pyrazineFL/FR
 nutty thiazoleFL
onion
 ethyl 2-mercaptopropionateFL/FR
 furfuryl isopropyl sulfideFL
phenolic
2-ethyl benzene thiolFL
4-vinyl phenolFL/FR
popcorn
2-propionyl-2-thiazolineFL
radish
3-(methyl thio) propyl mercaptoacetateFL
roasted
 hexyl mercaptanFL
 lactoyl ethanolamineFL
 lactoyl ethanolamine phosphateFL
rummy
 ethyl crotonateFL/FR
savory
N-(2,4-dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamideFL
N-(heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamideFL
N1-(2-methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamideFL
N1-(2-methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamideFL
smoky
 prosopis juliflora wood extractFL
 pyroligneous acidsFL/FR
sulfurous
2,3-butane dithiolFL
 ethyl methyl sulfideFL
S-ethyl thioacetateFL
 fish thiolFL/FR
 methyl 2-methyl-3-furyl disulfideFL
3-methyl-2-butane thiolFL
2-naphthyl mercaptanFL
 roasted butanolFL
2,4,6-trithiaheptane 10% in triacetinFL
vegetable
 tyramineFL
wasabi
2-(methyl thio) ethyl acetateFL
woody
ortho-guaiacolFL/FR
yeasty
 faex extractsFL
 
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Potential Uses:
 baconFL
 beefFL
 beef roasted beefFL
 chickenFL
 hawthornFR
 lambFL
 liverFL
 meatFL
 meat grilled meatFL
 meat roasted meatFL
 meat smoked meatFL
 porkFL
 salamiFL
 turkeyFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 ethanone, 1-(3-hydroxy-5-methyl-2-thienyl)-
1-(3-hydroxy-5-methyl-2-thienyl)-ethanone
1-(3-hydroxy-5-methyl-2-thienyl)ethanone
1-(3-hydroxy-5-methylthiophen-2-yl)ethanone
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