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

2-acetyl-3-methyl thiophene
1-(3-methylthiophen-2-yl)ethanone

Supplier Sponsors

Name:1-(3-methylthiophen-2-yl)ethanone
CAS Number: 13679-72-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:237-179-1
Nikkaji Web:J277.986B
MDL:MFCD00005443
CoE Number:11590
XlogP3-AA:2.00 (est)
Molecular Weight:140.20496000
Formula:C7 H8 O S
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Substance not supported by Industry (EFFA, 2009c). 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
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.13000 to 1.13600 @ 25.00 °C.
Pounds per Gallon - (est).: 9.403 to 9.453
Refractive Index:1.55800 to 1.56400 @ 20.00 °C.
Boiling Point: 216.00 °C. @ 760.00 mm Hg
Boiling Point: 98.00 to 99.00 °C. @ 14.00 mm Hg
Vapor Pressure:0.152000 mmHg @ 25.00 °C. (est)
Flash Point: 198.00 °F. TCC ( 92.22 °C. )
logP (o/w): 0.683 (est)
Soluble in:
 alcohol
 water, 1510 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
2-acetyl-5-methyl thiophene
 
Organoleptic Properties:
Odor Type: phenolic
phenolic wintergreen almond floral cananga
Odor Description:phenolic wintergreen almond floral cananga
Flavor Type: sweet
sweet honey
Taste Description: sweet honey-like
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-Methyl-2-acetylthiophene
Matrix Scientific
For experimental / research use only.
2-Acetyl-3-methylthiophene, 98%
Santa Cruz Biotechnology
For experimental / research use only.
2-Acetyl-3-methylthiophene
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Acetyl-3-methylthiophene 98%
 
Safety Information:
Preferred SDS: View
 
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 2-acetyl-3-methyl thiophene usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.18 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 78 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
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): 0.200001.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.100000.50000
Edible ices, including sherbet and sorbet (03.0): 0.200001.00000
Processed fruit (04.1): 0.200001.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.200001.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.100000.50000
Bakery wares (07.0): 0.200001.00000
Meat and meat products, including poultry and game (08.0): 0.100000.50000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.50000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.100000.50000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.200001.00000
Ready-to-eat savouries (15.0): 0.400002.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.100000.50000
 
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 21: Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29. Miscellaneous substances from chemical group 30. (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 76, (FGE.76)[1] - Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29, miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 21, Revision 1 (FGE.21Rev1): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 Miscellaneous substances from chemical group 30
View page or View pdf

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 21, Revision 2 (FGE.21Rev2): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29. Miscellaneous substances from chemical group 30.
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 21, Revision 3 (FGE.21Rev3): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 21, Revision 4 (FGE.21Rev4): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 21, Revision 5 (FGE.21Rev5): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :83653
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-(3-methylthiophen-2-yl)ethanone
Chemidplus:0013679726
 
References:
 1-(3-methylthiophen-2-yl)ethanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):83653
Pubchem (sid):135041226
 
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
HMDB (The Human Metabolome Database):HMDB41502
FooDB:FDB021474
Export Tariff Code:2934.90.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
anisic
ortho-
acetanisole
FL/FR
estragole
FL/FR
balsamic
sumatra
benzoin absolute
FL/FR
camphoreous
dextro-
camphor
FL/FR
chocolate
vanillyl ethyl ether
FL/FR
coumarinic
phthalide
FL/FR
creamy
para-
vanillyl alcohol
FL/FR
floral
benzyl alcohol
FL/FR
para-
cresyl acetate
FL/FR
dimethyl anthranilate
FL/FR
ortho-
methyl acetophenone
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
fruity
para-
tolualdehyde
FL/FR
meta-
tolualdehyde
FL/FR
green
benzaldehyde dimethyl acetal
FL/FR
diphenyl oxide
FL/FR
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
herbal
red
thyme oil india
FL/FR
red
thyme oil spain
FL/FR
thymol
FL/FR
yerba mate absolute
FL/FR
honey
phenyl pyruvic acid
FL/FR
minty
dihydrocarveol
FL/FR
piperitenone
FL/FR
nutty
nutty cyclohexenone
FL/FR
phenolic
anisole
FL/FR
para-
cresol
FL/FR
meta-
cresyl acetate
FL/FR
ortho-
cresyl isobutyrate
FL/FR
2,3-
dimethyl benzofuran
FL/FR
para-alpha-
dimethyl styrene
FL/FR
ortho-
guaiacol
FL/FR
2'-
hydroxyacetophenone
FL/FR
methyl benzoate
FL/FR
4-
methyl-2,6-dimethoxyphenol
FL/FR
2-iso
propyl phenol
FL/FR
2-
propyl phenol
FL/FR
4-
propyl phenol
FL/FR
4-
vinyl phenol
FL/FR
2,5-
xylenol
FL/FR
2,3-
xylenol
FL/FR
smoky
4-
ethyl phenol
FL/FR
pyroligneous acids
FL/FR
spicy
clove bud absolute
FL/FR
4-
ethyl guaiacol
FL/FR
4-
methyl guaiacol
FL/FR
zingerone
FL/FR
tobacco
methyl benzoxole
FL/FR
vanilla
ortho-
dimethyl hydroquinone
FL/FR
woody
guaiacyl acetate
FL/FR
For Flavor
No flavor group found for these
chavicol
FL
ortho-
cresyl isobutyrate
FL/FR
2,4-
dihydroxybenzoic acid
FL
2,6-
dimethoxy-4-vinyl phenol
FL
ortho-
dimethyl hydroquinone
FL/FR
3-
methyl crotonic acid
FL
4-
methyl salicylaldehyde
FL
piperitenone
FL/FR
4-
propyl phenol
FL/FR
2-
propyl phenol
FL/FR
para-
salicylic acid
FL
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
anisic
anisic
ortho-
methyl acetophenone
FL/FR
aromatic
anisole
FL/FR
para-
cresyl acetate
FL/FR
chemical
2,3-
dimethyl benzofuran
FL/FR
coumarinic
phthalide
FL/FR
creamy
para-
vanillyl alcohol
FL/FR
fishy
3-
penten-2-one
FL
fruity
benzyl alcohol
FL/FR
dimethyl anthranilate
FL/FR
meta-
tolualdehyde
FL/FR
green
benzaldehyde dimethyl acetal
FL/FR
dihydrocarveol
FL/FR
diphenyl oxide
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
herbal
red
thyme oil india
FL/FR
red
thyme oil spain
FL/FR
yerba mate absolute
FL/FR
licorice
estragole
FL/FR
meaty
2,6-
dimethyl thiophenol
FL
ortho-
thioguaiacol
FL
medicinal
dextro-
camphor
FL/FR
musty
2-
ethoxythiazole
FL
2,5-
xylenol
FL/FR
naphthyl
2'-
hydroxyacetophenone
FL/FR
nutty
methyl benzoxole
FL/FR
nutty cyclohexenone
FL/FR
phenolic
para-
cresol
FL/FR
meta-
cresyl acetate
FL/FR
2-
hydroxyisophorone
FL
methyl benzoate
FL/FR
4-
methyl-2,6-dimethoxyphenol
FL/FR
phenyl pyruvic acid
FL/FR
thymol
FL/FR
4-
vinyl phenol
FL/FR
2,3-
xylenol
FL/FR
powdery
ortho-
acetanisole
FL/FR
rummy
vanillyl ethyl ether
FL/FR
smoky
4-
ethyl phenol
FL/FR
pyroligneous acids
FL/FR
solvent
2-iso
propyl phenol
FL/FR
spicy
sumatra
benzoin absolute
FL/FR
clove bud absolute
FL/FR
para-alpha-
dimethyl styrene
FL/FR
para-
tolualdehyde
FL/FR
zingerone
FL/FR
vanilla
4-
methyl guaiacol
FL/FR
vegetable
tyramine
FL
woody
4-
ethyl guaiacol
FL/FR
ortho-
guaiacol
FL/FR
guaiacyl acetate
FL/FR
 
Potential Uses:
FLalmond toasted almond
FLbubble gum
FLbuchu leaf
FL/FRcamphor tree bark
FLcappuccino
FLcashew
FRchestnut blossom
FLchicory root
FLcoconut
FRcoconut tropical coconut
FLcoffee
FLcooling
FL/FRcornmint
FL/FRfenugreek
FLfilbert
FL/FRgeranium rose
FLhazelnut
FRhoney
FL/FRhyssop
FLmacadamia
FLmace
FLmint
FLnut
FLnut roasted nut
FRnutmeg
FLpeanut
FLpeanut butter
FLpecan
FLpeppermint
FLpina colada
FLpistachio
FLpraline
FLsesame
FLspearmint
FLwalnut
FLwintergreen
FRwormwood oil replacer
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 
Synonyms:
2-acetyl-3-methylthiophene
 ethan-1-one, 1-(3-methyl-2-thienyl)-
 ethanone, 1-(3-methyl-2-thienyl)-
3-methyl-2-acetylthiophene
1-(3-methyl-2-thienyl) ethan-1-one
1-(3-methyl-2-thienyl)-1-ethanone
1-(3-methyl-2-thienyl)ethan-1-one
1-(3-methyl-2-thienyl)ethanone
1-(3-methylthiophen-2-yl)ethan-1-one
1-(3-methylthiophen-2-yl)ethanone
 
 
Notes:
Flavouring ingredient with a honey-like flavour
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