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

2-propanoyl thiophene
2-propionylthiophene

Supplier Sponsors

CAS Number: 13679-75-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:237-182-8
FDA UNII:NY658TVP5M
Nikkaji Web:J45.609H
MDL:MFCD00005446
CoE Number:11635
XlogP3:1.70 (est)
Molecular Weight:140.20496000
Formula:C7 H8 O S
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
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
FLAVIS Number:15.097 (Old)
DG SANTE Food Flavourings:15.097 2-propionylthiophene
 
Physical Properties:
Appearance:pale yellow to yellow liquid to solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.13000 to 1.13400 @ 20.00 °C.
Pounds per Gallon - (est).: 9.414 to 9.447
Refractive Index:1.55100 to 1.55500 @ 20.00 °C.
Melting Point: 57.00 °C. @ 760.00 mm Hg
Boiling Point: 107.00 °C. @ 11.00 mm Hg
Boiling Point: 225.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.071000 mmHg @ 25.00 °C. (est)
Vapor Density:4.83 ( Air = 1 )
Flash Point: 213.00 °F. TCC ( 100.56 °C. )
logP (o/w): 1.779 (est)
Soluble in:
 water, 1686 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: creamy
Odor Strength:high ,
recommend smelling in a 0.01 % solution or less
creamy caramellic
Odor Description:at 0.01 % in propylene glycol. creamy caramel
Flavor Type: creamy
creamy caramellic
Taste Description: cream, caramel-like
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
1-(2-Thienyl)-1-propanone
Matrix Scientific
For experimental / research use only.
1-(2-Thienyl)-1-propanone, 98%
Penta International
2-PROPIONYLTHIOPHENE
Santa Cruz Biotechnology
For experimental / research use only.
1-(2-Thienyl)-1-propanone
Sigma-Aldrich
1-(2-Thienyl)-1-propanone, ≥97%, FG
Certified Food Grade Products
Sigma-Aldrich: Aldrich
For experimental / research use only.
1-(2-Thienyl)-1-propanone 98%
TCI AMERICA
For experimental / research use only.
2-Propanoylthiophene >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
 
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-propanoyl thiophene usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 160 (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): 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.400002.00000
Processed fruit (04.1): 0.300001.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.400002.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 0.400002.00000
Meat and meat products, including poultry and game (08.0): 0.100000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.40000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.200001.00000
Foodstuffs intended for particular nutritional uses (13.0): 0.400002.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.400002.00000
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200001.00000
 
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

Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000).
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 Substance Registry Services (TSCA):13679-75-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :26179
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-thiophen-2-ylpropan-1-one
Chemidplus:0013679759
 
References:
 1-thiophen-2-ylpropan-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13679-75-9
Pubchem (cid):26179
Pubchem (sid):134990560
 
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
HMDB (The Human Metabolome Database):HMDB33159
FooDB:FDB011165
Export Tariff Code:2934.99.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
cyclohexyl acetic acid
FL/FR
balsamic
2-
acetyl furan
FL/FR
buttery
acetoin
FL/FR
acetyl propionyl
FL/FR
3,4-
hexane dione
FL/FR
caramellic
2-oxo
butyric acid
FL/FR
caramel pentadione
FL/FR
cyclotene
FL/FR
cyclotene hydrate
FL/FR
alpha,alpha-
dimethyl anisyl acetone
FL/FR
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
ethyl cyclopentenolone
FL/FR
ethyl maltol
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
fenugreek absolute
FL/FR
geranyl crotonate
FR
immortelle absolute
FL/FR
levulinic acid
FL/FR
maltol
FL/FR
maltyl propionate
FL/FR
maple furanone
FL/FR
menthone lactone
FL/FR
mesitene lactone
FR
5-
methyl furfural
FL/FR
rosefuran
FL/FR
shoyu furanone
FL/FR
strawberry furanone
FL/FR
strawberry furanone acetate
FL/FR
toffee furanone
FL/FR
coconut
gamma-
heptalactone
FL/FR
coumarinic
tonka bean resinoid
FR
creamy
gamma-
butyrolactone
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
ethyl pyruvate
FL/FR
fermented
ethyl (E)-2-crotonate
FL/FR
fruity
(E)-
ethyl tiglate
FL/FR
tetrahydrofurfuryl acetate
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
herbal
butyl levulinate
FL/FR
musty
3-
acetyl-2,5-dimethyl furan
FL/FR
nutty
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
spicy
(E)-
tiglic acid
FL/FR
sweet
vanilla oleoresin bali
FL/FR
tonka
tonka bean absolute
FR
vanilla
ethyl vanillin
FL/FR
vanillyl isobutyrate
FL/FR
vegetable
tetrahydrofurfuryl alcohol
FL/FR
For Flavor
No flavor group found for these
2-
acetyl-3,4,5,6-tetrahydropyridine
FL
allyl 2-furoate
FL
benzyl disulfide
FL
2,5-
diethyl tetrahydrofuran
FL
alpha,alpha-
dimethyl anisyl acetone
FL/FR
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
ethyl 4-pentenoate
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
furfuryl acetone
FL
menthone lactone
FL/FR
rosefuran
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
acidic
acidic
levulinic acid
FL/FR
dextro,laevo-
tartaric acid
FL
bready
mango furanone
FL
brown
2-oxo
butyric acid
FL/FR
5-
methyl furfural
FL/FR
tetrahydrofurfuryl acetate
FL/FR
(E)-
tiglic acid
FL/FR
burnt
furfuryl alcohol
FL
buttery
diacetyl
FL
3,4-
hexane dione
FL/FR
caramellic
caramel furanone
FL
caramel pentadione
FL/FR
cyclotene
FL/FR
cyclotene hydrate
FL/FR
ethyl maltol
FL/FR
5-
ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
FL
fenugreek absolute
FL/FR
maltol
FL/FR
maltyl propionate
FL/FR
maple furanone
FL/FR
3-
methyl butyl 2-furyl butyrate
FL
shoyu furanone
FL/FR
strawberry furanone
FL/FR
strawberry furanone acetate
FL/FR
toffee furanone
FL/FR
coffee
2-
thiophene thiol
FL
creamy
acetoin
FL/FR
fatty
2,4-
undecadienal
FL
(E,E)-2,4-
undecadienal
FL
fruity
(E)-
ethyl tiglate
FL/FR
furfuryl valerate
FL
2-
pentanoyl furan
FL
green
immortelle absolute
FL/FR
herbal
butyl levulinate
FL/FR
5-
hydroxymethyl furfural
FL
jammy
ethyl cyclopentenolone
FL/FR
lactonic
gamma-
heptalactone
FL/FR
milky
gamma-
butyrolactone
FL/FR
musty
ethyl (E)-2-crotonate
FL/FR
nutty
2-
acetyl furan
FL/FR
3-
acetyl-2,5-dimethyl furan
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
peanut oxazole
FL
tetrahydrofurfuryl alcohol
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
rummy
ethyl pyruvate
FL/FR
sweet
caramel dione
FL
cyclohexyl acetic acid
FL/FR
dextro-
sorbitol
FL
vanilla oleoresin bali
FL/FR
toasted
acetyl propionyl
FL/FR
vanilla
ethyl vanillin
FL/FR
vanillyl isobutyrate
FL/FR
waxy
furfuryl octanoate
FL
 
Potential Uses:
FLcaramel
FLcoffee
 
Occurrence (nature, food, other):note
 coffee - 0.8 mg/kg
Search PMC Picture
 
Synonyms:
 ethyl 2-thienyl ketone
 propan-1-one, 1-(2-thienyl)-
1-propanone, 1-(2-thienyl)-
2-propanoylthiophene
2-propionylthiophene
1-thien-2-ylpropan-1-one
1-(2-thienyl) propan-1-one
1-(2-thienyl)-1-propanone
1-(2-thienyl)propan-1-one
1-thiophen-2-yl-1-propanone
1-(thiophen-2-yl)propan-1-one
1-thiophen-2-ylpropan-1-one
 
 
Notes:
Maillard product
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