octen-1-yl cyclopentanone
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IUPAC name :2-[(E)-oct-2-enyl]cyclopentan-1-one
InChI :InChI=1/C13H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h6-7,12H,2-5,8-11H2,1H3/b7-6+
InChIKey :QHEUOYOHVATZEB-VOTSOKGWBW
SMILES :CCCCC\C=C\CC1CCCC1=O
cas number :65737-52-2
(EINECS) number :265-901-5
fema number :3889
jecfa number :1116
molar refractivity :60.37 ± 0.3 cm3
parachor :511.9 ± 6.0 cm3
index of refraction :1.472 ± 0.02
surface tension :31.8 ± 3.0 dyne/cm
density :0.901 ± 0.06 g/cm3
polarizability :23.93 ± 0.5 10-24cm3
XlogP : 4.10
molecular weight : 194.3131800 (IUPAC)
formula :C13 H22 O
NMR Predictor :Predict
 
 
export tariff code :2914.29.0000
fda reg :unspecified
Suppliers :
Bedoukian Research :OCTENYL CYCLOPENTANONE
≥94.0%, Kosher
Odor:  A peachy, jasmine character
For use in jasmine and tuberose fragrances.
Flavor:  fruity green
Used mostly in peach and apricot flavors.
Penta :2-(2-octenyl) cyclopentanone
organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  		fruity green fatty peach jasmin
odor description:
at 1.00 % in ethyl alcohol.  		Fruity green, fatty, melon with sweet unripe apple with peach and apricot lactonic nuances
Mosciano, Gerard P&F 25, No. 1, 49, (2000)
taste description:
at 5.00 - 10.00 ppm.  		Fruity, green apple and melon with creamy, waxy peachy lactonic nuances
Mosciano, Gerard P&F 25, No. 1, 49, (2000)
properties :
appearence :colorless clear liquid
assay : 94.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88000 to 0.90000 @ 25.00 °C.
pounds per gallon - calc. : 7.322 to 7.489
refractive index :1.45500 to 1.47500 @ 20.00 °C.
boiling point : 85.00 °C. @ 2.00 mm Hg
boiling point : 275.00 to 276.00 °C. @ 760.00 mm Hg
flash point : 200.00  °F.  TCC  ( 93.33 °C. )
logP (o/w) : 4.00
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
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 - Wear suitable protective clothing.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for octen-1-yl cyclopentanone fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for octen-1-yl cyclopentanone flavor usage levels up to :
  10.0000 ppm in the flavor.
safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
2-[(E)-oct-2-enyl]cyclopentan-1-one
(EINECS) number :265-901-5
chemidplus :065737522
EPA Substance Registry Services :65737-52-2
references :
 
2-[(E)-oct-2-enyl]cyclopentan-1-one
jecfa number :1116
pubchem :680909
other :
synonyms :
2-(oct-2-enyl) cyclopentan-1-one
2-[(E)-oct-2-enyl]cyclopentan-1-one
2-(2-octen-1-yl) cyclopentanone
 octenyl cyclopentanone
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 allyl amyl glycolateFR
 allyl butyrateFL/FR
 allyl cyclohexyl valerateFL
 amyl 2-methyl butyrateFL/FR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 benzyl octanoateFL/FR
 benzyl propionateFL/FR
 boronia absoluteFL/FR
 butyl decylenateFL/FR
 butyl heptanoateFL/FR
 butyl isobutyrateFL/FR
 butyl isovalerateFL/FR
isobutyl isovalerateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
beta-cyclocitralFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl cinnamateFL/FR
 cyclohexyl isovalerateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-damasconeFL/FR
gamma-damasconeFR
alpha-decalactoneFR
delta-decalactoneFL/FR
3-decen-2-oneFL/FR
delta-decenolactoneFL
 diethyl 1-malateFL
 diethyl malonateFL/FR
 diethyl sebacateFL/FR
 dimethyl succinateFL/FR
(E,E)-2,4-dodecadien-1-olFR
epsilon-dodecalactoneFL/FR
 ethyl (E)-2-octenoateFL
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl decanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
 fruity butanateFR
 fruity cyclopentanoneFR
 fruity ketalFL/FR
 furfuryl propionateFL
 geranyl isovalerateFL/FR
 geranyl methyl ethyl acetateFL/FR
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
 heptanal cyclic ethylene acetalFR
2-heptanolFL/FR
 heptyl 2-methyl butyrateFL
2-heptyl cyclopentanoneFR
2-hexen-1-alFL
(E)-2-hexen-1-al diethyl acetalFL
(Z)-3-hexen-1-al diethyl acetalFL/FR
2-hexen-1-al diethyl acetalFL
(E)-2-hexen-1-al dimethyl acetalFL
(Z)-3-hexen-1-al dimethyl acetal 
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl pyruvateFL/FR
(E)-2-hexen-1-yl valerateFL
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl (E)-2-hexenoateFL
 hexyl 2-butenoateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl acetateFL/FR
 hexyl butyrateFL/FR
 hexyl formateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
 marine formateFR
 melon acetalFL/FR
 melon nonenoateFL/FR
 melon valerateFL/FR
 methoxycitronellalFR
 methyl (E)-2-hexenoateFL
 methyl (E)-3-nonenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2-undecynoateFL
 methyl butyrateFL
 methyl citronellateFL/FR
 methyl heptanoateFL/FR
 methyl isovalerateFL/FR
 methyl R-3-acetoxyhexanoate 
1-methyl thio-2-propanoneFL
2-methyl valeraldehydeFL
 methyl valerateFL/FR
(E)-2-methyl-2-octen-1-alFL
2-methyl-2-octen-1-alFL
3-methyl-3-pentanolFL
 nerolidyl isobutyrateFR
(Z)-6-nonen-1-alFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
 nonyl isovalerateFL/FR
(E,E)-3,5-octadien-2-oneFL
(Z)-3-octen-1-olFL/FR
(Z)-5-octen-1-olFL/FR
 octyl 2-methyl butyrateFL/FR
 peach cyclopentanoneFR
 peach notes 
 peach pivalateFR
(E)-2-penten-1-alFL/FR
2-pentyl furanFL/FR
 phenoxyethyl isobutyrateFL/FR
 pineapple pentenoateFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 propylene acetalFL/FR
 rhubarb undecaneFR
 tagete oil indiaFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 timber dioxolaneFR
 tropical indeneFR
 tropical thiazoleFL/FR
delta-undecalactoneFL/FR
gamma-undecalactoneFL/FR
isovaleraldehydeFL
 violet dienyneFR
potential uses :
 apple
 apricot
 coconut
 grape
 jasmin
 melon
 peach
 tropical
 tuberose tubereuse
 wine
natural occurrence in :    note
 not found in nature  

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