allyl cyclohexyl hexanoate
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IUPAC name :prop-2-enyl 6-cyclohexylhexanoate
InChI :InChI=1/C15H26O2/c1-2-13-17-15(16)12-8-4-7-11-14-9-5-3-6-10-14/h2,14H,1,3-13H2
InChIKey :MMVNCZIEXUKMHF-UHFFFAOYAR
SMILES :C=CCOC(=O)CCCCCC1CCCCC1
cas number :7493-66-5
fema number :2025
coe number :2180
jecfa number :16
fl. number :09.492
molar refractivity :70.92 ± 0.3 cm3
parachor :616.5 ± 4.0 cm3
index of refraction :1.461 ± 0.02
surface tension :32.5 ± 3.0 dyne/cm
density :0.923 ± 0.06 g/cm3
polarizability :28.11 ± 0.5 10-24cm3
XlogP : 5.80
XlogP3-AA : 5.40
molecular weight : 238.3657400 (IUPAC)
formula :C15 H26 O2
BioActivity Analysis :73951
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515

Suppliers :
Nanjing :allyl cyclohexylhexanoate

organoleptics :
odor type :fatty
odor strength :medium
odor description :
at 100.00 %.  
fatty fruity

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.94100 to 0.94700 @ 25.00 °C.
pounds per gallon - calc. : 7.830 to 7.880
refractive index :1.46000 to 1.46500 @ 20.00 °C.
boiling point : 128.00 °C. @ 1.50 mm Hg
flash point : 277.00  °F.  TCC  ( 136.11 °C. )
logP (o/w) : 5.71

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 hexanoate usage levels up to :
 not for fragrance use.
recommendation for allyl cyclohexyl hexanoate usage levels up to :
  10.0000 ppm in the flavor.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
 
 
 
 prop-2-enyl 6-cyclohexylhexanoate
chemidplus :007493665
EPA Substance Registry Services :7493-66-5
dtp/nci :8255

references :
 prop-2-enyl 6-cyclohexylhexanoate
fl. number :09.492
jecfa number :16
pubchem :197663

other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 allyl 6-cyclohexane hexanoate
 allyl cyclohexane caproate
 allyl cyclohexane hexanoate
 allyl cyclohexanecaproate
 allyl cyclohexanehexanoate
 allyl cyclohexyl caproate
 allyl hexahydrophenyl hexanoate
 cyclohexane hexanoic acid 2-propenyl ester
 cyclohexane hexanoic acid allyl ester
 prop-2-enyl 6-cyclohexyl hexanoate
 prop-2-enyl 6-cyclohexylhexanoate
2-propen-1-yl cyclohexane caproate
2-propenyl cyclohexane hexanoate

soluble in :
 alcohol
 oils

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl 10-undecenoate
 allyl 3,5,5-trimethyl hexanoate
 allyl amyl glycolate
 allyl butyrate
 allyl cinnamate
 allyl cyclohexyl acetate
 allyl cyclohexyl butyrate
 allyl cyclohexyl propionate
 allyl heptanoate
 allyl hexanoate
 allyl isovalerate
 allyl nonanoate
 allyl octanoate
 allyl phenoxyacetate
 allyl salicylate
 allyl sorbate
isoamyl 3-methyl thiopropionate
 amyl butyrate
 amyl hexanoate
isoamyl hexanoate
isoamyl isobutyrate
isoamyl octanoate
 amyl propionate
isoamyl propionate
 benzyl ethyl ether
 benzyl isovalerate
 benzyl octanoate
 buchu mercaptan
isobutyl 2-butenoate
 butyl butyrate
isobutyl butyrate
isobutyl furyl propionate
 butyl hexanoate
isobutyl hexanoate
 butyl isobutyrate
isobutyl isobutyrate
 butyl isovalerate
 butyl valerate
 cassis pentanone
 cherry pentenoate
 cinnamyl isobutyrate
 cognac heptanone
 cyclohexyl butyrate
 cyclohexyl hexanoate
 decyl butyrate
 ethyl (E,Z)-2,4-decadienoate
 ethyl (E)-2-decenoate
 ethyl (E)-2-octenoate
 ethyl (E)-4-decenoate
 ethyl (Z)-4-octenoate
 ethyl 3-(2-furyl) propanoate
 ethyl 3-hexenoate
 ethyl 3-hydroxyhexanoate
 ethyl 3-methyl valerate
 ethyl butyrate
 ethyl cyclohexane propionate
 ethyl heptanoate
 ethyl hexanoate
 ethyl isovalerate
 ethyl levulinate
 ethyl methyl mercaptopropionate
 ethyl propionate
 ethyl valerate
 furfuryl valerate
 galbanum ketone
 galbanum oxyacetate
(E)-geranyl acetone
 geranyl hexanoate
 geranyl isovalerate
 geranyl methyl tiglate
 heptanal dimethyl acetal
4-heptanone
3-hexanone
3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl propionate
(E)-2-hexen-1-yl valerate
 linalyl hexanoate
 maltyl isobutyrate
 maltyl propionate
 melon valerate
 methyl (Z)-4-octenoate
 methyl 2-(methyl thio) butyrate
 methyl 2-hexenoate
 methyl 2,4-decadienoate
 methyl 4-(methyl thio) butyrate
 methyl 4-methyl valerate
 methyl butyrate
 methyl hexanoate
 methyl isobutyrate
 methyl isovalerate
 methyl octenoate
 methyl thiomethyl butyrate
 methyl valerate
2-methyl-3,(5 or 6)-ethoxypyrazine
(E)-2-nonen-1-yl acetate
 passiflora acetate
 phenethyl acetate
 phenethyl hexanoate
2-phenyl propyl isobutyrate
 pineapple heptadienone 10%
 pineapple hydroxyhexanoate
 pineapple pentenoate
isopropyl 2-methyl butyrate
 propyl butyrate
isopropyl butyrate
 propyl heptanoate
 propyl hexanoate
isopropyl hexanoate
 propyl isobutyrate
isopropyl isobutyrate
isopropyl isovalerate
 propyl propionate
isopropyl propionate
 sorbyl isobutyrate
 sorbyl propionate
 tetrahydrofurfuryl butyrate
 tropical 3-thiobutyrate
 tropical ionone
 tropical oxathiane
2-undecanone
 vanilla carboxylate
 viridiflorol

(odor and/or flavor) used in :
 brandy
 grape

natural occurrence in :
not found in nature



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