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3-ethyl-1,2-cyclopentadione

Chemical Structure

General Material Information

Preferred name 3-ethyl-1,2-cyclopentadione
Trivial Name 3-Ethyl-1,2-cyclopentanedione
Short Description 1,2-cyclopentanedione, 3-ethyl-
Formula C7 H10 O2
CAS Number 13494-08-1
ECHA Number 236-812-9
FDA UNII Search
Nikkaji Number J241.147D
xLogP3-AA 0.50 (est)
NMR Predictor External link
Synonyms
  • 1,2-cyclopentanedione, 3-ethyl-
  • 3-ethyl cyclopentane-1,2-dione
  • 3-ethyl-1,2-cyclopentadione
  • 3-ethylcyclopentane-1,2-dione
  • 3-ethylcyclopentane-1,2-dione
  • 1,2-Cyclopentanedione, 3-ethyl-
  • 3-Ethyl-1,2-cyclopentanedione

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PhysChem Properties

Material listed in food chemical codex No
Molecular weight 126.15509796143
Boiling Point 197 to 198°C @ 760 mm Hg
Vapor Pressure 0.366 mmHg @ 25 °C
Flash Point TCC Value 68.9 °C TCC
logP (o/w) 0.77 est
Solubility
alcohol Yes
water, 1.048e+005 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Caramellic
sweet, caramellic, maple
General comment At 0.10 % in propylene glycol. sweet caramel
Flavor Type: Caramellic
maple, caramellic
General comment Maple caramellic

Occurrences

Safety Information

Safety information

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 3-ethyl-1,2-cyclopentadione usage levels up to:
0.0100 % in the fragrance concentrate.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):13494-08-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :114535
National Institute of Allergy and Infectious Diseases:Data
3-ethylcyclopentane-1,2-dione
Chemidplus:0013494081