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1-(3-hydroxy-5-methyl-2-thienyl) ethanone
1-(3-hydroxy-5-methyl-2-thienyl)ethanone

Supplier Sponsors

Name:1-(3-hydroxy-5-methylthiophen-2-yl)ethanone
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, Edge 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
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: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
 
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
 
Organoleptic Properties:
Odor Type: meaty
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).
 
Cosmetic Information:
None found
 
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 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 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: --
 
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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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
 
References:
 1-(3-hydroxy-5-methylthiophen-2-yl)ethanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):14837639
Pubchem (sid):135267266
 
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
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
methyl furfuryl disulfide
FL/FR
burnt
rum ether
FL/FR
chocolate
2,6-
dimethyl pyrazine
FL/FR
coffee
coffee difuran
FL/FR
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
earthy
nutty pyrazine
FL/FR
fermented
ethyl crotonate
FL/FR
fruity
tropical thiazole
FL/FR
tropical trithiane
FL/FR
green
2-
heptyl furan
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
meaty
meaty dithiane
FL/FR
4-
methyl nonanoic acid
FL/FR
sulfurol
FL/FR
sulfuryl acetate
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2-
ethyl pyrazine
FL/FR
2-
ethyl-4-methyl thiazole
FL/FR
2-
methyl pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
phenolic
2,3-
dimethyl benzofuran
FL/FR
ortho-
guaiacol
FL/FR
4-
vinyl phenol
FL/FR
smoky
pyroligneous acids
FL/FR
sulfurous
benzothiazole
FL/FR
ethyl 2-mercaptopropionate
FL/FR
ethyl 3-mercaptopropionate
FL/FR
fish thiol
FL/FR
2-
mercaptopropionic acid
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
2-(
methyl thio) phenol
FL/FR
1-
phenethyl mercaptan
FL/FR
tobacco
methyl benzoxole
FL/FR
For Flavor
No flavor group found for these
4-
acetyl-2-methyl pyrimidine
FL
gamma-
aminobutyric acid
FL
amyl mercaptan
FL
1,2-
butane dithiol
FL
2-(2-
butyl)-4,5-dimethyl-3-thiazoline
FL
cyclopropyl (E,Z)-2,6-nonadienamide
FL
2,5-
diethyl thiazole
FL
3,6-
diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceri
FL
dihydro-2,4,6-trimethyl-1,3,5(4H)-dithiazine
FL
dimethyl tetrasulfide
FL
2,6-
dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
FL
bis(2,5-
dimethyl-3-furyl) disulfide
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
ethyl (E,Z)-2,6-nonadienamide
FL
S-
ethyl 2-acetyl aminoethane thioate
FL
ethyl 3-mercaptopropionate
FL/FR
ethyl 4-(acetyl thio) butyrate
FL
3-(
ethyl thio) butanol
FL
2-
ethyl-3-methyl thiopyrazine
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
2-
hexyl thiophene
FL
3-
mercapto-3-methyl butyl formate
FL
4-
mercapto-3-methyl-2-butanol
FL
4-
methoxybenzoyl oxyacetic acid
FL
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
methyl dihydrofuran thiol
FL
2-
methyl thiazolidine
FL
2-(
methyl thio) ethanol
FL
2-
methyl-1-butane thiol
FL
4-
methyl-2-(methyl thiomethyl)-2-hexenal
FL
2-
methyl-2-thiazoline
FL
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
2-
methyl-3-furyl tetrasulfide
FL
3-((2-
methyl-3-furyl)thio)-4-heptanone
FL
4-((2-
methyl-3-furyl)thio)-5-nonanone
FL
1,9-
nonane dithiol
FL
peanut dithiazine
FL
1-
phenethyl mercaptan
FL/FR
1,3-
propane dithiol
FL
3-iso
propenyl pentane dioic acid
FL
iso
propyl disulfide
FL
2-iso
propyl-3-(methyl thio) pyrazine
FL
sodium methoxybenzoyl oxyacetate
FL
thiazole
FL
3-
thienyl mercaptan
FL
thioacetic acid
FL
5-
acetyl-2,3-dihydro-1,4-thiazine
FL
S-
allyl-laevo-cysteine
FL
3,5-
diisopropyl-1,2,4-trithiolane
FL
N-(2-(3,4-
dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
FL
3,5-
dimethyl-1,2,4-trithiolane
FL
3,7-
dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL
2,4-
dimethyl-3-oxazoline
FL
4-
mercapto-2-pentanone 1% in acetoin
FL
(±)-3-(
methyl thio) heptanal
FL
3-(
methyl thio) methyl thiophene
FL
2-
methyl-1-methyl thio-2-butene
FL
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL
1-(2-
thienyl) butanone
FL
alliaceous
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
dimethyl trisulfide
FL/FR
3-
mercapto-2-pentanone
FL
3-
tetrahydrothiophenone
FL
tropical thiazole
FL/FR
burnt
bacon dithiazine
FL
1,6-
hexane dithiol
FL
rum ether
FL/FR
chemical
2,3-
dimethyl benzofuran
FL/FR
2,5-
dimethyl furan
FL
cocoa
butyraldehyde
FL
coffee
coffee difuran
FL/FR
2-
ethyl-4-methyl thiazole
FL/FR
methyl furfuryl disulfide
FL/FR
earthy
difurfuryl sulfide
FL
1,8-
octane dithiol
FL
eggy
iso
propyl mercaptan
FL
fatty
2-
heptyl furan
FL/FR
4-
methyl nonanoic acid
FL/FR
2-
pentyl thiophene
FL
fruity
tropical trithiane
FL/FR
green
4-
methyl thiazole
FL
(E,Z)-2,6-
nonadienal
FL/FR
4-
penten-1-yl acetate
FL
meaty
4-
allyl-2,6-dimethoxyphenol
FL
benzothiazole
FL/FR
2,6-
dimethyl pyrazine
FL/FR
2,6-
dimethyl thiophenol
FL
2,5-
dimethyl-3-furan thiol
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
furfuryl 2-methyl-3-furyl disulfide
FL
4-
furfuryl thio-2-pentanone
FL
meaty dithiane
FL/FR
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-butanol
FL
2-
mercaptomethyl pyrazine
FL
2-
mercaptopropionic acid
FL/FR
2-
methyl 3-(methyl thio) furan
FL
2-(
methyl thio) phenol
FL/FR
methyl thiofuryl butanal
FL
12-
methyl tridecanal
FL
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
propyl 2-mercaptopropionate
FL
propyl 2-methyl-3-furyl disulfide
FL
pyrazinyl ethane thiol
FL
2-
pyridinyl methane thiol
FL
sulfurol
FL/FR
sulfuryl acetate
FL/FR
thialdine
FL
ortho-
thiocresol
FL
ortho-
thioguaiacol
FL
metallic
2,5-
dihydroxy-1,4-dithiane
FL
moldy
strawberry furanone methyl ether
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
3-
acetyl-2,5-dimethyl thiophene
FL
2-
acetyl-4-methyl thiazole
FL
2-
butyl-2-butenal
FL
3,5-
diethyl-2-methyl pyrazine
FL
2,5-
diethyl-3-methyl pyrazine
FL
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2-
ethyl pyrazine
FL/FR
methyl benzoxole
FL/FR
2-
methyl pyrazine
FL/FR
nutty pyrazine
FL/FR
nutty thiazole
FL
onion
ethyl 2-mercaptopropionate
FL/FR
furfuryl isopropyl sulfide
FL
phenolic
2-
ethyl benzene thiol
FL
4-
vinyl phenol
FL/FR
popcorn
2-
propionyl-2-thiazoline
FL
radish
3-(
methyl thio) propyl mercaptoacetate
FL
roasted
hexyl mercaptan
FL
lactoyl ethanolamine
FL
lactoyl ethanolamine phosphate
FL
rummy
ethyl crotonate
FL/FR
savory
N-(2,4-
dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL
N-(
heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
FL
N1-(2-
methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL
N1-(2-
methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
FL
smoky
prosopis juliflora wood extract
FL
pyroligneous acids
FL/FR
sulfurous
2,3-
butane dithiol
FL
ethyl methyl sulfide
FL
S-
ethyl thioacetate
FL
fish thiol
FL/FR
methyl 2-methyl-3-furyl disulfide
FL
3-
methyl-2-butane thiol
FL
2-
naphthyl mercaptan
FL
roasted butanol
FL
2,4,6-
trithiaheptane 10% in triacetin
FL
vegetable
tyramine
FL
wasabi
2-(
methyl thio) ethyl acetate
FL
woody
ortho-
guaiacol
FL/FR
yeasty
faex extracts
FL
 
Potential Uses:
FLbacon
FLbeef
FLbeef roasted beef
FLchicken
FRhawthorn
FLlamb
FLliver
FLmeat
FLmeat grilled meat
FLmeat roasted meat
FLmeat smoked meat
FLpork
FLsalami
FLturkey
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 
 
Notes:
Used as a food additive [EAFUS]
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