allyl cyclohexyl valerate
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IUPAC name :prop-2-enyl 5-cyclohexylpentanoate
InChI :InChI=1/C14H24O2/c1-2-12-16-14(15)11-7-6-10-13-8-4-3-5-9-13/h2,13H,1,3-12H2
InChIKey :NDXGAVFJHHVIQN-UHFFFAOYAH
SMILES :C=CCOC(=O)CCCCC1CCCCC1
cas number :7493-68-7
fema number :2027
coe number :474
jecfa number :15
fl. number :09.469
molar refractivity :66.29 ± 0.3 cm3
parachor :576.8 ± 4.0 cm3
index of refraction :1.460 ± 0.02
surface tension :32.4 ± 3.0 dyne/cm
density :0.928 ± 0.06 g/cm3
polarizability :26.28 ± 0.5 10-24cm3
XlogP : 5.30
XlogP3-AA : 4.90
molecular weight : 224.3391600 (IUPAC)
formula :C14 H24 O2
NMR Predictor :Predict
 
 
export tariff code :2915.60.0000
fda reg :172.515

Suppliers :
Nanjing :allyl cyclohexylvalerate

organoleptics :
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
fruity pineapple peach apricot apple

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.94200 to 0.94700 @ 25.00 °C.
pounds per gallon - calc. : 7.838 to 7.880
refractive index :1.46050 @ 22.00 °C.
boiling point : 119.00 °C. @ 1.00 mm Hg
flash point : 261.00  °F.  TCC  ( 127.22 °C. )
logP (o/w) : 5.18

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl cyclohexyl valerate usage levels up to :
 not for fragrance use.
recommendation for allyl cyclohexyl valerate usage levels up to :
  10.0000 ppm in the flavor.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
 
 
 
 prop-2-enyl 5-cyclohexylpentanoate
chemidplus :007493687
EPA Substance Registry Services :7493-68-7

references :
 prop-2-enyl 5-cyclohexylpentanoate
fl. number :09.469
jecfa number :15
pubchem :197664

other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 allyl 5-cyclohexyl pentanoate
 allyl cyclohexane pentanoate
 allyl cyclohexane valerate
 allyl cyclohexanepentanoate
 allyl cyclohexanevalerate
 allyl hexahydrophenyl valerate
 cyclohexane pentanoic acid 2-propenyl ester
 cyclohexane valeric acid allyl ester
 prop-2-enyl 5-cyclohexylpentanoate
2-propen-1-yl cyclohexane pentanoate
2-propen-1-yl cyclohexane valerate

soluble in :
 alcohol
 essential oils
 flavor materials
 propylene glycol, slightly

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl 2-ethyl butyrate
 allyl isononylate
 allyl propionate
 amyl 2-methyl butyrate
 amyl isobutyrate
 amyl isovalerate
isoamyl valerate
 apple ketal
 apricot isobutyrate
 benzyl heptanoate
 benzyl isobutyrate
 benzyl isovalerate
 benzyl octanoate
 benzyl propionate
 bois de rose oil
2-butanol
 butyl angelate
 butyl decylenate
 butyl heptanoate
 butyl isovalerate
isobutyl isovalerate
 cassis buteneone
laevo-citronellyl acetate
 coranol
 cyclohexyl butyrate
 cyclohexyl cinnamate
 cyclohexyl isovalerate
beta-damascenone
alpha-damascone
delta-damascone
gamma-damascone
delta-decalactone
 decen-1-yl cyclopentanone
3-decen-2-one
delta-decenolactone
 diethyl 1-malate
 dihydrolinalool
 dimethyl benzyl carbinyl acetate
alpha,alpha-dimethyl benzyl isobutyrate
3,6-dimethyl-3-octanol
epsilon-dodecalactone
 ethyl decanoate
 ethyl isovalerate
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
 ethyl nonanoate
(E)-ethyl tiglate
 ethyl valerate
 fruity butanate
 fruity cyclopentanone
 fruity ketal
 geraniol
 geranyl butyrate
 geranyl isovalerate
 geranyl methyl ethyl acetate
 geranyl propionate
 glyceryl 5-hydroxydecanoate
 glyceryl 5-hydroxydodecanoate
 heptyl 2-methyl butyrate
2-heptyl cyclopentanone
(Z)-3-hexen-1-al diethyl acetal
(E)-2-hexen-1-al dimethyl acetal
(Z)-3-hexen-1-al dimethyl acetal
(Z)-3-hexen-1-yl acetate
(E)-2-hexen-1-yl butyrate
(Z)-3-hexen-1-yl isobutyrate
(E)-2-hexen-1-yl propionate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
 hexyl 2-methyl butyrate
 hexyl butyrate
 hexyl formate
 hexyl isobutyrate
 hexyl phenyl acetate
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
 linalyl formate
 marine formate
 methyl butyrate
 methyl citronellate
 methyl isovalerate
 methyl valerate
 nonyl isovalerate
 octyl formate
 octyl phenyl acetate
 peach cyclopentanone
 peach pivalate
(E)-2-penten-1-al
 phenethyl isobutyrate
 phenethyl isovalerate
 phenethyl valerate
 propyl butyrate
 propyl heptanoate
 propyl isovalerate
isopropyl isovalerate
 rhodinyl butyrate
 santalyl butyrate
 tetrahydrolinalool
delta-undecalactone
gamma-undecalactone
isovaleraldehyde

(odor and/or flavor) used in :
 apple
 apricot
 fruit tropical fruit
 peach
 tropical

natural occurrence in :
not found in nature



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