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3-acetyl-2,5-dimethyl thiophene

Chemical Structure

General Material Information

Preferred name 3-acetyl-2,5-dimethyl thiophene
Trivial Name 3-Acetyl-2,5-dimethylthiophene
Short Description 3-acetyl-2,5-dimethylthiophene
Formula C8 H10 O S
CAS Number 2530-10-1
Flavis Number 15.024
ECHA Number 219-779-5
FDA UNII VDV865T91P
Nikkaji Number J71.219A
Beilstein Number 0112095
MDL MFCD00009763
COE Number 11603
xLogP3-AA 2.10 (est)
NMR Predictor External link
JECFA Food Flavoring 1051 3-acetyl-2,5-dimethylthiophene
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 3-ACETYL-2,5-DIMETHYLTHIOPHENE
Synonyms
  • 3-acetyl-2 5-dimethylthiophene
  • 3-acetyl-2,5-dimethyl thiophene natural
  • 3-acetyl-2,5-dimethylthiophene
  • beef thiophene
  • 2,5-dimethyl-3-acetyl thiophene
  • 2,5-dimethyl-3-acetylthiophene
  • 2,5-dimethyl-3-thienyl methyl ketone
  • 1-(2,5-dimethyl-3-thienyl)ethanone
  • 2,5-dimethylthiophen-3-yl methyl ketone
  • 1-(2,5-dimethylthiophen-3-yl)ethanone
  • ethanone, 1-(2,5-dimethyl-3-thienyl)-
  • ketone, 2,5-dimethyl-3-thienyl methyl
  • 1-(2,5-dimethylthiophen-3-yl)ethanone
  • 1-(2,5-Dimethyl-3-thienyl)ethanone
  • 3-Acetyl-2,5-dimethylthiophene
  • 2,5-Dimethyl-3-acetylthiophene
  • 1-(2,5-Dimethylthiophen-3-yl)ethan-1-one

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

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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
HMDB (The Human Metabolome Database):HMDB40589
FooDB:FDB020372
Export Tariff Code:2934.90.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 154.23190307617
Specific gravity 1.086 @ 25 °C
Pounds per Gallon
Specific gravity 1.084 - 1.088 @ 25 °C
Pounds per Gallon 9.02 to 9.053
Boiling Point 223 to 225°C @ 760 mm HG
Boiling Point 105 to 108°C @ 15 mm HG
Vapor Pressure 0.098 mm HG @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 0.476 est
Solubility
alcohol Yes
water, 447.6 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Burnt
burnt, roasted, meaty
General comment At 0.10 % in propylene glycol. burnt roasted meaty
Flavor Type: Nutty
sweet, hazelnut roasted hazelnut, almond, marzipan
General comment Sweet dried hazelnut almond marzipan
Used in Roasted Nut, Chocolate and possibly Meat flavors. Normal use levels in finished consumer product: 0.02-2 ppm. Roasted

Occurrences

Potential Uses

Applications
Odor purposes Chocolate
Flavoring purposes Coffee, Dairy, Meat, Nut, Roasted, Savory

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
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:
intraperitoneal-mouse LD50 260 mg/kg
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Annales Pharmaceutiques Francaises. Vol. 5, Pg. 16, 1947.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for 3-acetyl-2,5-dimethyl thiophene usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 18.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.20 (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: 11
Click here to view publication 11
average usual ppmaverage maximum ppm
baked goods: -2.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): -1.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.60000
fruit ices: --
gelatins / puddings: -1.50000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.00000
milk products: -0.60000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -1.50000
soups: -1.00000
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

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 re-evaluation of one flavouring substance 3-acetyl-2,5-dimethylthiophene [FL-no 15.024] from FGE.19 subgroup 5.2
View page or View pdf

Scientific Opinion on the safety and efficacy of thiazoles, thiophene, thiazoline and thienyl derivatives (chemical group 29): 3-acetyl-2,5-dimethylthiophene when used as a flavouring for all animal species
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 :520191
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-(2,5-dimethylthiophen-3-yl)ethanone
Chemidplus:0002530101
RTECS:OB2888000 for cas# 2530-10-1