EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

3-methyl-2-cyclopenten-1-one
1-methyl-1-cyclopenten-3-one

Supplier Sponsors

Name:3-methylcyclopent-2-en-1-one
CAS Number: 2758-18-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:220-421-5
FDA UNII: 6V7RSW7273
Nikkaji Web:J22.870B
Beilstein Number:1280476
MDL:MFCD00001403
CoE Number:11137
XlogP3-AA:0.50 (est)
Molecular Weight:96.12896000
Formula:C6 H8 O
NMR Predictor:Predict (works with chrome, Edge 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:1105 1-methyl-1-cyclopenten-3-one
DG SANTE Food Flavourings:07.112 3-methyl-2-cyclopenten-1-one
FEMA Number:3435 1-methyl-1-cyclopenten-3-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):2758-18-1 ; 1-METHYL-1-CYCLOPENTEN-3-ONE
 
Physical Properties:
Appearance:colorless to brown clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96800 to 0.97500 @ 25.00 °C.
Pounds per Gallon - (est).: 8.055 to 8.113
Refractive Index:1.48500 to 1.49100 @ 20.00 °C.
Melting Point: 3.00 to 5.00 °C. @ 760.00 mm Hg
Boiling Point: 74.00 °C. @ 15.00 mm Hg
Boiling Point: 157.00 to 158.00 °C. @ 760.00 mm Hg
Vapor Pressure:2.741000 mmHg @ 25.00 °C. (est)
Flash Point: 150.00 °F. TCC ( 65.56 °C. )
logP (o/w): 0.301 (est)
Soluble in:
 alcohol
 water
 water, 1.015e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: fruity
sweet fruity fatty
Odor Description:at 1.00 % in dipropylene glycol. sweet fruity fatty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
3-Methyl-2-cyclopenten-1-one
BOC Sciences
For experimental / research use only.
3-Methyl-2-cyclopenten-1-one
EMD Millipore
For experimental / research use only.
3-Methyl-2-cyclopenten-1-one
Matrix Scientific
For experimental / research use only.
3-Methyl-2-cyclopenten-1-one, 95+%
Penta International
3-METHYL-2-CYCLOPENTEN-1-ONE
Santa Cruz Biotechnology
For experimental / research use only.
3-Methyl-2-cyclopentenone
Shijiazhuang Donglian Nankai Aroma Chemicals
3-Methyl-2-cyclopenten-1-one
Odor: Caramel odor with fatty rice
Sigma-Aldrich
3-Methyl-2-cyclopenten-1-one, 97%, FG
Certified Food Grade Products
Synerzine
1-Methyl-1-cyclopenten-3-one
TCI AMERICA
For experimental / research use only.
3-Methyl-2-cyclopentenone >98.0%(GC)
Tengzhou Xiang Yuan Aroma Chemicals
3-Methyl-2-cyclopenten-1-one
Tianjin Danjun International
3-Methyl-2-cyclopenten-1-one
United International
3-Methyl-2-Cyclopenten-1-One
WholeChem
3-Methyl-2-cyclopenten-1-one
 
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:
flavoring agents
Recommendation for 3-methyl-2-cyclopenten-1-one usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.06 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (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: 8
Click here to view publication 8
 average usual ppmaverage maximum ppm
baked goods: -3.00000
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: -2.00000
cheese: --
chewing gum: --
condiments / relishes: -2.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -2.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -2.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -2.00000
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 212: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19
View page or View pdf

List of apha, beta-Unsaturated Aldehydes and Ketones representative of FGE.19 substances for Genotoxicity Testing [1] - Statement of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 212 Revision 1 (FGE.212Rev1): alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19.
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 212 Revision 3 (FGE.212Rev3): a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19
View page or View pdf

Flavouring Group Evaluation 51, Revision 2 (FGE.51Rev2): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev6 (2015)
View page or View pdf

Safety and efficacy of secondary alicyclic saturated and unsaturated alcohols, ketones, ketals and esters with ketals containing alicyclic alcohols or ketones and esters containing secondary alicyclic alcohols from chemical group 8 when used as flavourings for all animal species
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):2758-18-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :17691
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-methylcyclopent-2-en-1-one
Chemidplus:0002758181
 
References:
 3-methylcyclopent-2-en-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2758-18-1
Pubchem (cid):17691
Pubchem (sid):134982426
Pherobase:View
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31546
FooDB:FDB008156
Export Tariff Code:2914.29.5000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
iso
valeraldehyde diethyl acetal
FL/FR
buttery
buttery
acetyl butyryl
FL/FR
ethereal
decyl propionate
FL/FR
fatty
allyl cyclohexyl hexanoate
FL/FR
iso
butyl undecylenate
FL/FR
coconut absolute
FL/FR
(Z)-3-
octen-1-ol
FL/FR
fruity
(E)-2-
hepten-1-yl acetate
FL/FR
octyl heptanoate
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
green
3-
heptanone
FL/FR
herbal
benzyl octanoate
FL/FR
oily
petal pyranone
FL/FR
waxy
9-
decenoic acid
FL/FR
For Flavor
No flavor group found for these
allyl cyclohexyl hexanoate
FL/FR
benzyl octanoate
FL/FR
iso
butyl undecylenate
FL/FR
decyl propionate
FL/FR
(E)-2-
hepten-1-yl acetate
FL/FR
octyl heptanoate
FL/FR
iso
valeraldehyde diethyl acetal
FL/FR
valeraldehyde diethyl acetal
FL
creamy
creamy
acetyl butyryl
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
fatty
coconut absolute
FL/FR
(Z)-3-
octen-1-ol
FL/FR
green
3-(5-
methyl-2-furyl) butanal
FL
ketonic
3-
heptanone
FL/FR
oily
petal pyranone
FL/FR
waxy
9-
decenoic acid
FL/FR
 
Potential Uses:
FRfruit
 
Occurrence (nature, food, other):note
 cornmint oil india @ 0.02%
Data GC Search Trop Picture
 katsuobushi
Search PMC Picture
 onion roasted onion
Search Trop Picture
 pepper bell pepper fruit
Search Trop Picture
 pork
Search PMC Picture
 tea black tea
Search Trop Picture
 
Synonyms:
 cyclopent-2-en-1-one, 3-methyl-
2-cyclopenten-1-one, 3-methyl-
3-methyl cyclopent-2-enone
1-methyl-1-cyclopenten-3-one
3-methyl-2-cyclopentenone
3-methyl-cyclopent-2-enone
3-methylcyclopent-2-en-1-one
3-methylcyclopent-2-enone
 

Articles:

PubMed:Comparative volatile profiles in soy sauce according to inoculated microorganisms.
PubMed:Antimycobacterial activity of constituents from Foeniculum vulgare var. dulce grown in Mexico.
PubMed:Structure elucidation of the diagnostic product ion at m/z 97 derived from androst-4-en-3-one-based steroids by ESI-CID and IRMPD spectroscopy.
PubMed:Cyclic 1,2-diketones as core building blocks: a strategy for the total synthesis of (-)-terpestacin.
PubMed:Odor detection of mixtures of homologous carboxylic acids and coffee aroma compounds by humans.
PubMed:Bimetallic phenylene-bridged Cp/amide titanium complexes and their olefin polymerization.
PubMed:Prooxidant action of furanone compounds: implication of reactive oxygen species in the metal-dependent strand breaks and the formation of 8-hydroxy-2'-deoxyguanosine in DNA.
PubMed:o-Phenylene-bridged Cp/sulfonamido titanium complexes for ethylene/1-octene copolymerization.
PubMed:Gas chromatography/mass spectrometric characterisation of pyrolysis/silylation products of glucose and cellulose.
PubMed:Identification of impurities affecting commercial ethylene glycol UV transmittance.
PubMed:Microbiological hydroxylation of cinerone to cinerolone.
 
Notes:
Flavouring ingredient
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