ethyl cyclopentenolone
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IUPAC name :3-ethyl-2-hydroxycyclopent-2-en-1-one
InChI :InChI=1/C7H10O2/c1-2-5-3-4-6(8)7(5)9/h9H,2-4H2,1H3
InChIKey :JHWFWLUAUPZUCP-UHFFFAOYAA
SMILES :CCC1=C(C(=O)CC1)O
cas number :21835-01-8
(EINECS) number :244-606-5
fema number :3152
coe number :759
jecfa number :419
fl. number :07.057
molar refractivity :33.70 ± 0.3 cm3
parachor :283.0 ± 6.0 cm3
index of refraction :1.530 ± 0.02
surface tension :45.4 ± 3.0 dyne/cm
density :1.156 ± 0.06 g/cm3
polarizability :13.36 ± 0.5 10-24cm3
XlogP : 0.90
molecular weight : 126.1531000 (IUPAC)
formula :C7 H10 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Moellhausen :ethyl cyclopentenolone
48.5-51% PG min. nature identical kosher
Odor:  sweet, slightly phenolic
Flavor:  tostata, caramel, smoke
Penta :3-ethyl-2-hydroxy-2-cyclopenten-1-one
50% pg
Penta :3-ethyl-2-hydroxy-2-cyclopenten-1-one
SAFC Global® :3-Ethyl-2-hydroxy-2-cyclopenten-1-one
≥97%, Kosher
Odor:  butterscotch; maple; smoky
SAFC Global® :3-Ethyl-2-hydroxy-2-cyclopenten-1-one
50 wt. % in propylene glycol, Kosher, FG
Odor:  butterscotch; maple; smoky
Vigon :Ethyl Cyclopentenolone Pure
Odor:  MAPLE, CARAMEL, COFFEE, SMOKE LIKE
Vigon :Ethyl Cyclopentenolone
50% in DPG
Odor:  MAPLE, CARAMEL, COFFEE, SMOKE LIKE
organoleptics :
odor type :caramellic
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in propylene glycol.  		sweet caramel maple fenugreek
Luebke, William tgsc, (1996)
odor sample from :Pure Synthetics, Inc.
odor description:
at 0.50 %.  		Sweet, brown, caramellic, maple, brown sugar, rum, whiskey, furanone
Mosciano, Gerard P&F 23, No. 5, 49, (1998)
taste description:
at 12.00 ppm.  		Sweet, jammy, fruity, brown, toasted, maple, nutty
Mosciano, Gerard P&F 23, No. 5, 49, (1998)
substantivity :92  Hour(s)
properties :
appearence :pale brown powder
assay : 90.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.06200 to 1.09200 @ 25.00 °C.
pounds per gallon - calc. : 8.837 to 9.087
refractive index :1.46300 to 1.48200 @ 20.00 °C.
melting point : 36.00 to 43.00 °C. @ 760.00 mm Hg
boiling point : 78.00 to 80.00 °C. @ 4.00 mm Hg
boiling point : 65.00 to 68.00 °C. @ 1.00 mm Hg
flash point : 212.00  °F.  TCC  ( 100.00 °C. )
logP (o/w) : 0.83
shelf life : 12.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.
safety :
most important hazard(s) :Xn - Harmful.
  R 20/21 - Harmful by inhalation and in contact with skin.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :32.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :23.00 (μg/capita/day)
Structure Class :II
 
recommendation for ethyl cyclopentenolone fragrance usage levels up to :
  0.3000 % in the fragrance concentrate.
recommendation for ethyl cyclopentenolone flavor usage levels up to :
  10.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
EPA GENetic TOXicology :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
3-ethyl-2-hydroxycyclopent-2-en-1-one
(EINECS) number :244-606-5
chemidplus :021835018
EPA Substance Registry Services :21835-01-8
references :
 
3-ethyl-2-hydroxycyclopent-2-en-1-one
fl. number :07.057
jecfa number :419
NIST Chemistry WebBook :1085347102
pubchem :204701
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 coffee pentenolone
3-ethyl cyclopentan-1,2-dione
 ethyl cyclotene
3-ethyl-2-cyclopenten-2-ol-1-one
3-ethyl-2-hydroxy-2-cyclopenten-1-one
3-ethyl-2-hydroxycyclopent-2-en-1-one
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetoinFL/FR
2-acetyl furanFL/FR
 acetyl propionylFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3,4,5,6-tetrahydropyridineFL
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
 allyl 2-furoateFL
 allyl hexanoateFL/FR
 allyl phenyl acetateFL/FR
isoamyl 3-(2-furan) propionateFL/FR
isoamyl pyruvateFL/FR
 benzyl disulfideFL
 berry furanoneFL/FR
 berry pentadienoateFL/FR
isobutyl butyrateFL/FR
 butyl decanoateFL/FR
 butyl formateFL/FR
 butyl levulinateFL/FR
2-oxobutyric acidFL
gamma-butyrolactoneFL/FR
 caramel dioneFL
 caramel furanoneFL
 caramel pentadioneFL/FR
 coffee dioneFL/FR
 cyclohexanone diethyl acetalFL/FR
 cyclohexyl acetic acidFL
 decyl propionateFL/FR
 diacetylFL
2,5-diethyl tetrahydrofuranFL
alpha,alpha-dimethyl anisyl acetoneFL/FR
2,3-dimethyl pyrazineFL/FR
 ethyl (E)-crotonateFL/FR
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl 2-methyl-2-pentenoateFR
 ethyl 4-pentenoateFL/FR
 ethyl acetateFL/FR
 ethyl heptanoateFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl maltolFL/FR
 ethyl nonanoateFL/FR
 ethyl propionateFL/FR
 ethyl pyruvateFL/FR
(E)-ethyl tiglateFL/FR
 ethyl vanillinFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-oneFL
 fenugreek absoluteFL/FR
 fenugreek oleoresinFL
 fenugreek resinoidFL/FR
 fruity carboxylateFR
 furfuryl acetoneFL
 furfuryl alcoholFL
 furfuryl octanoateFL
 furfuryl valerateFL
 geranyl crotonateFR
 geranyl methyl tiglate 
gamma-heptalactoneFL/FR
 heptyl acetateFL/FR
3,4-hexane dioneFL/FR
3-hexanoneFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl phenyl acetateFL/FR
1-hexen-3-olFL/FR
1-hexen-3-yl acetate 
5-hydroxymethyl furfuralFL
 immortelle absoluteFL/FR
 levulinic acidFL
 linalyl propionateFL/FR
 maltolFL/FR
 maltyl propionateFL/FR
 mango furanoneFL
 maple furanoneFL/FR
 maple lactoneFL/FR
 menthone lactoneFL/FR
 mesitene lactoneFR
3-methyl butyl 2-furyl butyrateFL
 methyl cyclopentenoloneFL/FR
5-methyl furfuralFL/FR
 methyl propionateFL/FR
 methyl tiglateFL
4-methyl-2,6-dimethoxyphenolFL/FR
 nutty cyclohexenoneFL/FR
 peanut oxazoleFL
2-pentanoyl furanFL
2-phenyl propyl butyrateFL/FR
 prenyl formateFL/FR
 propyl formateFL/FR
3-propylidene phthalideFL/FR
 pyruvaldehydeFL
 rosefuranFL/FR
 rum etherFL/FR
 shoyu furanoneFL/FR
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
 tetrahydrofurfuryl acetateFL/FR
 tetrahydrofurfuryl alcoholFL/FR
2-thiophene thiolFL
 toffee furanoneFL/FR
 tonka bean absoluteFR
 tonka bean resinoidFR
(E,E)-2,4-undecadien-1-alFL
2,4-undecadien-1-alFL
isovaleraldehyde propylene glycol acetalFL/FR
 vanilla oleoresinFL/FR
 vanillyl isobutyrateFL/FR
potential uses :
 bread
 candy cotton candy
 caramel
 coconut
 coffee
 fruit dried fruit
 malt
 maple
 molasses
 yeast
natural occurrence in :    note
 coffee  
 tobacco S

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