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2-acetyl-5-methyl thiophene

Chemical Structure

General Material Information

Preferred name 2-acetyl-5-methyl thiophene
Trivial Name 2-Acetyl-5-methylthiophene
Short Description 1-(5-methylthiophen-2-yl)ethanone
Formula C7 H8 O S
CAS Number 13679-74-8
FEMA Number 4643
ECHA Number 237-181-2
FDA UNII 2HS3I278W9
Nikkaji Number J45.610A
Beilstein Number 0110854
MDL MFCD00014529
xLogP3-AA 2.00 (est)
NMR Predictor External link
JECFA Food Flavoring 2107 2-acetyl-5-methylthiophene
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 13679-74-8 ; 2-ACETYL-5-METHYLTHIOPHENE
Synonyms
  • 2-acetyl-5-methylthiophene
  • ethanone, 1-(5-methyl-2-thienyl)-
  • ketone, methyl 5-methyl-2-thienyl
  • methyl 5-methyl-2-thienyl ketone
  • 5-methyl-2-acetyl thiophene
  • 5-methyl-2-acetylthiophene
  • 1-(5-methyl-2-thienyl) ethan-1-one
  • (5-methyl-2-thienyl) ethanone
  • 1-(5-methyl-2-thienyl)ethan-1-one
  • (5-methyl-2-thienyl)ethanone
  • 1-(5-methyl-2-thienyl)ethanone
  • 1-(5-methyl-2-thiophenyl)ethanone
  • 1-(5-methyl-thiophen-2-yl)-ethanone
  • 1-(5-methylthien-2-yl)ethanone
  • 1-(5-methylthiophen-2-yl)ethanone
  • thiophene, 2-acetyl-5-methyl-
  • 1-(5-methylthiophen-2-yl)ethanone
  • 1-(5-Methyl-2-thienyl)ethanone
  • 2-Acetyl-5-methylthiophene
  • 2-Methyl-5-acetylthiophene
  • 5-Methyl-2-thienyl methyl ketone
  • 1-(5-Methylthiophen-2-yl)ethan-1-one

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

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Literature & References

1-(5-methylthiophen-2-yl)ethanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):83655
Pubchem (sid):135041228
Publications by US Patents
3,952,024 - Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines
Flavoring agent

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):HMDB33130
FooDB:FDB011131
Export Tariff Code:2934.99.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 140.20495605469
Specific gravity @ 20 °C
Pounds per Gallon 9.33 to 9.414
Refractive Index 1.557 to 1.567 @ 20 °C
Melting Point 24 to 28°C @ 760 mm Hg
Boiling Point 232 to 234°C @ 760 mm Hg
Boiling Point 65 to 67°C @ 1 mm Hg
Vapor Pressure 0.052 mmHg @ 25 °C
Flash Point TCC Value 95.56 °C TCC
logP (o/w) 1.345 est
Solubility
alcohol Yes
water, 1510 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Spicy
sweet, spicy, honey, hawthorn, almond, acacia, hyacinth, caramellic, graham cracker
Odor strength high , recommend smelling in a 1.00 % solution or less
Substantivity 11 hour(s) at 100.00 %
Luebke, William tgsc, (2017) At 1.00 % in propylene glycol. sweet spicy honey hawthorn almond acacia hyacinth caramellic graham cracker
Flavor Type: Floral
sweet, floral, green, nutty, almond, honey, acacia, caramellic, hawthorn
Luebke, William tgsc, (2017) Sweet floral green nutty almond honey acacia caramellic hawthorn

Occurrences

Potential Uses

Applications
Odor purposes Balsam, Coffee, Floral, Hyacinth
Other purposes Spicy

Safety Information

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.
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
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 230 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 2-acetyl-5-methyl thiophene usage levels up to:
not for fragrance use.
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: 24
Click here to view publication 24
average usual ppmaverage maximum ppm
baked goods: 0.005000.05000
beverages(nonalcoholic): 0.001000.01000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: 0.001000.01000
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: 0.003000.10000

Safety references

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 :83655
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3082
WGK Germany:3
1-(5-methylthiophen-2-yl)ethanone
Chemidplus:0013679748
RTECS:OB4972000 for cas# 13679-74-8