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5-methyl-2-propanoyl thiophene

Chemical Structure

General Material Information

Preferred name 5-methyl-2-propanoyl thiophene
Trivial Name 1-(5-Methyl-2-thienyl)-1-propanone
Short Description 1-propanone, 1-(5-methyl-2-thienyl)-
Formula C8 H10 O S
CAS Number 59303-13-8
FDA UNII Search
Nikkaji Number J45.631D
MDL MFCD00053143
xLogP3-AA 2.50 (est)
NMR Predictor External link
Synonyms
  • 5-methyl-2-propanoylthiophene
  • 5-methyl-2-propionyl thiophene
  • 5-methyl-2-propionylthiophene
  • 1-(5-methyl-2-thienyl)propan-1-one
  • 2-methyl-5-propionyl thiophene
  • 2-methyl-5-propionylthiophene
  • 1-(5-methylthien-2-yl)propan-1-one
  • 1-(5-methylthiophen-2-yl)propan-1-one
  • 1-propanone, 1-(5-methyl-2-thienyl)-
  • 1-(5-methylthiophen-2-yl)propan-1-one
  • 1-Propanone, 1-(5-methyl-2-thienyl)-
  • 1-(5-Methyl-2-thienyl)-1-propanone
  • 5-Methyl-2-propionylthiophene

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

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Literature & References

1-(5-methylthiophen-2-yl)propan-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):580407
Pubchem (sid):57563539
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
HMDB (The Human Metabolome Database):HMDB40231
FooDB:FDB019946
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 154.23190307617
Boiling Point 251 to 252°C @ 760 mm Hg
Vapor Pressure 0.021 mmHg @ 25 °C
Flash Point TCC Value 105.7 °C TCC
logP (o/w) 2.244 est
Solubility
alcohol Yes
water, 499.9 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Flavor Type: Coconut
coconut
General comment Nonalactone-like

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:
information only not used for fragrances or flavors
Recommendation for 5-methyl-2-propanoyl thiophene usage levels up to:
not for fragrance use.
Recommendation for 5-methyl-2-propanoyl 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 :580407
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-(5-methylthiophen-2-yl)propan-1-one