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3-ethyl-4-methyl cyclotene

Chemical Structure

General Material Information

Preferred name 3-ethyl-4-methyl cyclotene
Trivial Name 3-Ethyl-2-hydroxy-4-methyl-2-cyclopenten-1-one
Short Description 3-ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one
Formula C8 H12 O2
CAS Number 42348-12-9
FEMA Number 3453
Flavis Number 7.117
ECHA Number 255-767-6
FDA UNII Search
Nikkaji Number J278.385A
COE Number 11077
xLogP3-AA 1.10 (est)
NMR Predictor External link
JECFA Food Flavoring 422 3-ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 42348-12-9 ; 3-ETHYL-2-HYDROXY-4-METHYLCYCLOPENT-2-EN-1-ONE
Synonyms
  • cyclopent-2-en-1-one, 3-ethyl-2-hydroxy-4-methyl-
  • 2-cyclopenten-1-one, 2-hydroxy-3-ethyl-4-methyl
  • 2-cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl-
  • 3-ethyl-2-hydroxy-4-methyl cyclopent-2-en-1-one
  • 3-ethyl-2-hydroxy-4-methyl-2-cyclopenten-1-one
  • 3-ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one
  • 3-ethyl-4-methyl cyclotene
  • 3-ethyl-4-methylcyclotene
  • 3-ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one
  • 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl-
  • 3-Ethyl-2-hydroxy-4-methyl-2-cyclopenten-1-one
  • 2-Hydroxy-3-ethyl-4-methylcyclopent-2-en-1-one
  • 3-Ethyl-2-hydroxy-4-methylcyclopent-2-enone

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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB36176
FooDB:FDB015030
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 140.18203735352
Specific gravity @ 25 °C
Pounds per Gallon 8.779 to 8.829
Refractive Index 1.481 to 1.487 @ 20 °C
Boiling Point 260 to 261°C @ 760 mm Hg
Vapor Pressure 0.002 mmHg @ 25 °C
Flash Point TCC Value 107.78 °C TCC
logP (o/w) 0.615 est
Solubility
alcohol Yes
water, slightly Yes
water, 1112 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Caramellic
sweet, maple, caramellic
General comment At 0.10 % in dipropylene glycol. sweet maple

Occurrences

Potential Uses

Applications
Odor purposes Coffee, Maple
Cosmetic purposes Perfuming agents

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
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.17 (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: 9
Click here to view publication 9
average usual ppmaverage maximum ppm
baked goods: -4.00000
beverages(nonalcoholic): -0.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -5.00000
condiments / relishes: --
confectionery froastings: -4.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.40000
fruit ices: -0.40000
gelatins / puddings: -0.60000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: -1.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
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 213: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 213, Revision 2 (FGE.213Rev2): Consideration of genotoxic potential for a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):42348-12-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :528698
National Institute of Allergy and Infectious Diseases:Data
3-ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one
Chemidplus:0042348129