peach cyclopentanone
 
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IUPAC name :2-[2-(4-methyl-1-cyclohex-3-enyl)propyl]cyclopentan-1-one
InChI :InChI=1/C15H24O/c1-11-6-8-13(9-7-11)12(2)10-14-4-3-5-15(14)16/h6,12-14H,3-5,7-10H2,1-2H3
InChIKey :KNHGOYVXAHUDHP-UHFFFAOYAV
SMILES :CC1=CCC(CC1)C(C)CC2CCCC2=O
cas number :95962-14-4
molar refractivity :67.04 ± 0.3 cm3
parachor :554.7 ± 6.0 cm3
index of refraction :1.492 ± 0.02
surface tension :33.2 ± 3.0 dyne/cm
density :0.953 ± 0.06 g/cm3
polarizability :26.57 ± 0.5 10-24cm3
xlogp : 4.30
molecular weight : 220.3504600
formula :C15 H24 O
 
 
fda reg :unspecified h. number :unspecified
 
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
ketone fruity peach apricot
substantivity :380  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 95.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
boiling point : 287.00 - 288.00 °C. @ 760.00 mm Hg
logp : 4.26
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    >2000.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >2000.00  mg/kg    
  
flash point ( Deg. F. ) : 324.00  °F.  TCC  ( 162.22 °C. )
  
recommendation for peach cyclopentanone usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for peach cyclopentanone usage levels up to :
 not for flavor use.
  
safety links : 
chemidplus :095962144
epa-srs :95962-14-4
  
other : 
 
references : 
pubchem :752863
  
synonyms :
2-(para-menthen-1-ene-9-yl) cyclopentan-1-one
 methyl cyclohexenyl propyl cyclopentanone
2-(2-(4-methyl-3-cyclohexen-1-yl)-propyl) cyclopentanone
 nectaryl
 peach cyclopentanone
soluble in :
 alcohol
 water, 4.6 mg/L @ 20C
insoluble in :
 water
(odor and/or flavor) blends with :
 acetoin
 allyl cyclohexyl propionate
isoamyl salicylate
 amyris wood oil
 animal carbolactone
 beeswax absolute
 benzophenone
 benzyl salicylate
 caramel furanone
 cassia bark oil
 citrus propanol
 coriander seed oil
 costus valerolactone
 cyclamen aldehyde
gamma-decalactone
 dihydrojasmone
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dodecanal
 ethyl cinnamate
 ethyl maltol
 ethyl vanillin
isoeugenyl acetate
 floral pyranol
 green acetate
 heliotropyl acetone
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 lavender absolute
 leerall
 lilyall
laevo-linalool
 linalool oxide
 madescol
 melon heptenal
 methyl dihydrojasmonate
 methyl ionones
2-methyl undecanal
 muguet shiseol
 musks
 myrasline
gamma-nonalactone
 nonanol
(Z)-6-nonen-1-al
 oakmoss absolute
 ocean propanal
 ozone propanal
 peru balsam oil
 precarone
 raspberry ketone
 raspberry ketone methyl ether
 rose absolute
 rose butanoate
 sandalwood oil
 santall
 strawberry glycidate 1
 tonka bean absolute
 tuberolide
gamma-undecalactone
 vanilla absolute
 verymoss
 vetiver oil
 violet leaf absolute
 watermelon ketone
 ylang ylang oil
(odor and/or flavor) used in :
 acacia
 aldehydic
 apple
 apple green apple
 apple red apple
 apricot
 arpege
 blue grass
 bluebell
 blueberry
 bouquet
 butterscotch
 cedar
 cherry
 cherry blossom
 citrus
 coconut
 coconut tropical coconut
 cream
 cucumber
 currant
 date
 diorella
 fetes
 fig
 floral
 flower
 fracas
 fruit
 fruit juicy fruit
 gardenia
 gooseberry
 grape
 green
 grenadine
 habuba
 herbal
 hibiscus
 jasmin
 kiwi
 leather russian leather
 lilac lilas syringa
 lily
 linden blossom limeflower tilleul
 lotus
 lychee soapberry
 magnolia
 mango
 maple
 meadow
 melon watermelon muskmelon cantaloupe
 muguet lily of the valley
 mulberry
 neroli
 nut
 nut pistachio
 ocean sea breeze
 papaya
 passion blossom
 passion fruit
 peach
 peach blossom
 pear
 pina colada
 plum
 powder
 raspberry
 rose
 spice
 strawberry
 tropical
 tutti frutti
 vanilla
 violet
 wintergreen
 woody
natural occurrence in :
not found in nature



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