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2-acetyl-4-methyl thiophene

Chemical Structure

General Material Information

Preferred name 2-acetyl-4-methyl thiophene
Trivial Name 2-Acetyl-4-methylthiophene
Short Description 1-(4-methylthiophen-2-yl)ethanone
Formula C7 H8 O S
CAS Number 13679-73-7
ECHA Number 237-180-7
FDA UNII Search
Nikkaji Number J236.244I
MDL MFCD00027395
xLogP3-AA 2.00 (est)
NMR Predictor External link
Synonyms
  • 2-acetyl-4-methylthiophene
  • ethanone, 1-(4-methyl-2-thienyl)-
  • 4-methyl-2-acetylthiophene
  • 1-(4-methyl-2-thienyl) ethan-1-one
  • 1-(4-methyl-2-thienyl)ethan-1-one
  • 1-(4-methyl-2-thienyl)ethanone
  • 1-(4-methylthiophen-2-yl)ethanone
  • thiophene, 2-acetyl-4-methyl-
  • 1-(4-methylthiophen-2-yl)ethanone
  • Ketone, methyl 4-methyl-2-thienyl
  • 1-(4-Methyl-2-thienyl)ethanone
  • 4-Methyl-2-acetylthiophene
  • 5-Acetyl-3-methylthiophene
  • 2-Acetyl-4-methylthiophene
  • NSC 80386
  • 1-(4-Methylthiophene-2-yl)ethanone
  • 1-(4-Methylthien-2-yl)ethanone
  • 1-(4-Methylthiophen-2-yl)ethan-1-one

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

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Literature & References

1-(4-methylthiophen-2-yl)ethanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):83654
Pubchem (sid):135041227
Publications by US Patents
3,952,024 - Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines
Flavoring agent

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 140.20495605469
Boiling Point 236 to 237°C @ 760 mm Hg
Boiling Point 97 to 99°C @ 8 mm Hg
Vapor Pressure 0.046 mmHg @ 25 °C
Flash Point TCC Value 97.1 °C TCC
logP (o/w) 1.186 est
Solubility
alcohol Yes
water, 1510 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Flavor Type: Nutty
nutty, potato

Occurrences

Safety Information

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:
natural substances and extractives
Recommendation for 2-acetyl-4-methyl thiophene usage levels up to:
not for fragrance use.
Recommendation for 2-acetyl-4-methyl thiophene flavor usage levels up to:
not for flavor use.

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 :83654
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-(4-methylthiophen-2-yl)ethanone
Chemidplus:0013679737