5-ethyl-3-methyl cyclotene
2-cyclopenten-1-one, 5-ethyl-2-hydroxy-3-methyl
 
Notes:
Present in roast Arabica coffeee bean volatiles. Flavouring agent
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      Product(s):
      53263-58-4 5-Ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one > 95%
       
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CAS Number: 53263-58-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 258-451-6
Nikkaji Web: J295.917H
CoE Number: 11078
XlogP3-AA: 1.20 (est)
Molecular Weight: 140.18204000
Formula: C8 H12 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 423  5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one
DG SANTE Food Flavourings: 07.118  5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one
FEMA Number: 3454 5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):53263-58-4 ; 5-ETHYL-2-HYDROXY-3-METHYLCYCLOPENT-2-EN-1-ONE
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Physical Properties:
Assay: 99.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.05300 to 1.06000 @  25.00 °C.
Pounds per Gallon - (est).: 8.762 to  8.820
Refractive Index: 1.47800 to 1.48400 @  20.00 °C.
Boiling Point: 260.00 to  261.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est)
Flash Point: 226.00 °F. TCC ( 107.78 °C. )
logP (o/w): 0.615 (est)
Soluble in:
 alcohol
 water, slightly
 water, 1112 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: malty
 
 malty  caramellic  
Odor Description:
at 1.00 % in propylene glycol. 
malty caramellic
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Anhui Haibei
5-Ethyl-3-methyl Cyclotene
Axsyn
For experimental / research use only.
2-Cyclopenten-1-one,5-ethyl-2-hydroxy-3-methyl-
BOC Sciences
For experimental / research use only.
5-Ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one > 95%
Parchem
5-ethyl-3-methyl cyclotene
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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
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Safety in Use Information:
Category: flavoring agents
Recommendation for 5-ethyl-3-methyl cyclotene usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.38 (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: -2.00000
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: -2.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.00000
fruit ices: -3.00000
gelatins / puddings: -2.00000
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: --
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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 ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 65427
National Institute of Allergy and Infectious Diseases: Data
 5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one
Chemidplus: 0053263584
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References:
 5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 53263-58-4
Pubchem (cid): 65427
Pubchem (sid): 135022193
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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): HMDB37167
FooDB: FDB016163
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
acidic
 cyclohexyl acetic acidFL/FR
balsamic
2-acetyl furanFL/FR
buttery
 acetoinFL/FR
 acetyl propionylFL/FR
3,4-hexane dioneFL/FR
2-oxobutyric acidFL/FR
 caramel pentadioneFL/FR
 cycloteneFL/FR
 cyclotene hydrateFL/FR
alpha,alpha-dimethyl anisyl acetoneFL/FR
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl cyclopentenoloneFL/FR
 ethyl maltolFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
 fenugreek absoluteFL/FR
 geranyl crotonateFR
 immortelle absoluteFL/FR
 maltolFL/FR
 maltyl propionateFL/FR
 maple furanoneFL/FR
 menthone lactoneFL/FR
 mesitene lactoneFR
5-methyl furfuralFL/FR
 rosefuranFL/FR
 shoyu furanoneFL/FR
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
 toffee furanoneFL/FR
coconut
gamma-heptalactoneFL/FR
coumarinic
 tonka bean resinoidFR
creamy
gamma-butyrolactoneFL/FR
ethereal
 ethyl 4-pentenoateFL/FR
 ethyl pyruvateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fermented
 ethyl (E)-2-crotonateFL/FR
fruity
(E)-ethyl tiglateFL/FR
 tetrahydrofurfuryl acetateFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
herbal
 butyl levulinateFL/FR
malty
S-methyl methioninium chloride 
musty
3-acetyl-2,5-dimethyl furanFL/FR
nutty
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
2,3-dimethyl pyrazineFL/FR
 nutty cyclohexenoneFL/FR
phenolic
4-methyl-2,6-dimethoxyphenolFL/FR
sweet
 vanilla oleoresin baliFL/FR
tonka
 tonka bean absoluteFR
vanilla
 ethyl vanillinFL/FR
 vanillyl isobutyrateFL/FR
vegetable
 tetrahydrofurfuryl alcoholFL/FR
 
For Flavor
 
No flavor group found for these
2-acetyl-3,4,5,6-tetrahydropyridineFL
 allyl 2-furoateFL
 benzyl disulfideFL
2,5-diethyl tetrahydrofuranFL
alpha,alpha-dimethyl anisyl acetoneFL/FR
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl 4-pentenoateFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
 furfuryl acetoneFL
 menthone lactoneFL/FR
 rosefuranFL/FR
isoamyl 3-(2-furan) propionateFL/FR
bready
 mango furanoneFL
brown
2-oxobutyric acidFL/FR
5-methyl furfuralFL/FR
 tetrahydrofurfuryl acetateFL/FR
burnt
 furfuryl alcoholFL
buttery
 diacetylFL
3,4-hexane dioneFL/FR
caramellic
 caramel dioneFL
 caramel furanoneFL
 caramel pentadioneFL/FR
 cycloteneFL/FR
 cyclotene hydrateFL/FR
 ethyl maltolFL/FR
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-oneFL
 fenugreek absoluteFL/FR
 maltolFL/FR
 maltyl propionateFL/FR
 maple furanoneFL/FR
3-methyl butyl 2-furyl butyrateFL
 shoyu furanoneFL/FR
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
 toffee furanoneFL/FR
cocoa
 butyraldehydeFL
coffee
2-thiophene thiolFL
creamy
 acetoinFL/FR
fatty
2,4-undecadienalFL
(E,E)-2,4-undecadienalFL
fruity
(E)-ethyl tiglateFL/FR
 furfuryl valerateFL
2-pentanoyl furanFL
isovaleraldehyde propylene glycol acetalFL/FR
green
 immortelle absoluteFL/FR
herbal
 butyl levulinateFL/FR
5-hydroxymethyl furfuralFL
jammy
 ethyl cyclopentenoloneFL/FR
lactonic
gamma-heptalactoneFL/FR
milky
gamma-butyrolactoneFL/FR
musty
 ethyl (E)-2-crotonateFL/FR
nutty
2-acetyl furanFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
2,3-dimethyl pyrazineFL/FR
 nutty cyclohexenoneFL/FR
 peanut oxazoleFL
 tetrahydrofurfuryl alcoholFL/FR
phenolic
4-methyl-2,6-dimethoxyphenolFL/FR
rummy
 ethyl pyruvateFL/FR
solvent
2-ethyl furanFL
sulfurous
S-methyl methioninium chloride 
sweet
 cyclohexyl acetic acidFL/FR
 vanilla oleoresin baliFL/FR
toasted
 acetyl propionylFL/FR
vanilla
 ethyl vanillinFL/FR
 vanillyl isobutyrateFL/FR
waxy
 furfuryl octanoateFL
 
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Potential Uses:
 breadFL
 cerealFL
 coffeeFL
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Occurrence (nature, food, other): note
 coffee roasted coffee
Search  PMC Picture
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Synonyms:
2-cyclopenten-1-one, 2-hydroxy-5-ethyl-3-methyl
2-cyclopenten-1-one, 5-ethyl-2-hydroxy-3-methyl
5-ethyl-2-hydroxy-3-methyl cyclopent-2-en-1-one
5-ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one
5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one
5-ethyl-3-methylcyclotene
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