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    General Material Information
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bread thiophene

Chemical Structure

General Material Information

Preferred name bread thiophene
Trivial Name 5-Methyl-2-thiophenecarboxaldehyde
Short Description 5-methyl-2-thiophenecarboxaldehyde
Formula C6 H6 O S
CAS Number 13679-70-4
FEMA Number 3209
Flavis Number 15.004
ECHA Number 237-178-6
FDA UNII UDF14S002L
Nikkaji Number J5.207H
Beilstein Number 0106896
MDL MFCD00005434
COE Number 2203
xLogP3-AA 1.80 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1050 5-methyl-2-thiophenecarboxaldehyde
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 13679-70-4 ; 5-METHYL-2-THIOPHENECARBOXALDEHYDE
Synonyms
  • formyl methyl thiophene
  • 2-formyl-5-methyl thiophene
  • 2-formyl-5-methylthiophene
  • 5-methly-2-thiophenecarboxaldehyde
  • 5-methyl thiophene-2-carbaldehyde
  • 5-methyl-2-formyl thiophene
  • 5-methyl-2-formylthiophene
  • 5-methyl-2-thenaldehyde
  • 5-methyl-2-thiophencarboxaldehyde
  • 5-methyl-2-thiophene carboxaldehyde
  • 5-methyl-2-thiophene carboxyaldehyde
  • 5-methyl-2-thiophene-2-carboxaldehyde
  • 5-methyl-2-thiophenecarbaldehyde
  • 5-methyl-2-thiophenecarboxaldehyde
  • 5-methylthiophene-2-aldehyde
  • 5-methylthiophene-2-carboxaldehyde
  • thiophene-2-carboxaldehyde, 5-methyl-
  • 2-thiophenecarboxaldehyde, 5-methyl-
  • 5-methyl-2-thiophene-2-carboxaldehyde
  • 2-Thiophenecarboxaldehyde, 5-methyl-
  • 5-Methyl-2-thiophenecarboxaldehyde
  • 5-Methyl-2-formylthiophene
  • 2-Formyl-5-methylthiophene
  • 5-Methylthiophene-2-carbaldehyde
  • 2-Methylthiophene-5-carboxaldehyde
  • 2-Methyl-5-formylthiophene
  • 5-Methyl-2-thiophenealdehyde
  • 5-Methyl-2-thienaldehyde
  • NSC 87542
  • 5-Methyl-2-thienylcarbaldehyde
  • 5-Methylthiophen-2-carboxaldehyde

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

5-methyl-2-thiophene-2-carboxaldehyde
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13679-70-4
Pubchem (cid):61663
Pubchem (sid):135017475
Flavornet:13679-70-4
Publications by US Patents
3,952,024 - Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32431
FooDB:FDB009874
YMDB (Yeast Metabolome Database):YMDB01445
Export Tariff Code:2934.99.9090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 126.1780166626
Specific gravity @ 20 °C
Pounds per Gallon 9.655 to 9.689
Refractive Index 1.581 to 1.584 @ 20 °C
Boiling Point 113 to 114°C @ 25 mm Hg
Vapor Pressure 0.127 mmHg @ 25 °C
Flash Point TCC Value 87.78 °C TCC
logP (o/w) 1.218 est
Solubility
alcohol Yes
water, 1600 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
sweet, almond bitter almond, cherry, bready, woody, almond
General comment At 0.10 % in dipropylene glycol. sweet almond cherry furfural woody acetophenone
Mosciano, Gerard P&F 23, No. 2, 43, (1998) Sweet, almond, cherry, furfural, woody and acetophenone
Flavor Type: Fruity
bitter, almond, cherry, sweet, almond bitter almond, fruity, heliotrope, nutty
General comment Bitter almond, cherry-like
Mosciano, Gerard P&F 23, No. 2, 43, (1998) At 5.00 ppm. Sweet, almond, fruity, heliotropine and nutty

Occurrences

Potential Uses

Applications
Odor purposes Almond, Blackberry, Cherry, Hazelnut, Peanut, Vanilla

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
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:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for bread thiophene usage levels up to:
0.1000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.73 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (μg/capita/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: 4
Click here to view publication 4
average usual ppmaverage maximum ppm
baked goods: -0.50000
beverages(nonalcoholic): -0.50000
beverages(alcoholic): --
breakfast cereal: -0.50000
cheese: --
chewing gum: -0.50000
condiments / relishes: -0.50000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.50000
fruit ices: -0.50000
gelatins / puddings: -0.50000
granulated sugar: --
gravies: -0.50000
hard candy: -0.50000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.50000
milk products: -0.50000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -0.50000
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 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

List of apha, beta-Unsaturated Aldehydes and Ketones representative of FGE.19 substances for Genotoxicity Testing [1] - Statement of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
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

Scientific Opinion on Flavouring Group Evaluation 224 (FGE.224): Consideration of genotoxic potential for two a,ß-unsaturated thiophenes from subgroup 5.2 of FGE.19 by EFSA
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 76, Revision 1 (FGE.76Rev1): Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 and miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21Rev3
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):13679-70-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61663
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
5-methyl-2-thiophene-2-carboxaldehyde
Chemidplus:0013679704