hexyl phenyl acetate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :hexyl 2-phenylacetate
InChI :InChI=1/C14H20O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKey :MTAHGWGAEGVCLS-UHFFFAOYAT
(EINECS) number :226-537-2
cas number :5421-17-0
fema number :3457
coe number :10694
jecfa number :1015
fl. number :09.804
molar refractivity :65.37 ± 0.3 cm3
parachor :547.3 ± 4.0 cm3
index of refraction :1.493 ± 0.02
surface tension :35.1 ± 3.0 dyne/cm
density :0.980 ± 0.06 g/cm3
polarizability :25.91 ± 0.5 10-24cm3
xlogp : 4.30
molecular weight : 220.3074000
formula :C14 H20 O2
BioActivity Analysis :72617
 
 
fda reg :172.515 h. number :2916.35.1500
organoleptics : 
odor type :green
odor strength :medium
odor description :
at 100.00 %.  
sweet green waxy fruity rose wine foliage
taste description³ :at 15.00 ppm.  
Fruity, waxy, green, powdery and floral with sweet honey nuances
properties : 
appearence :colorless clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.96000 - 0.97300 @ 25.00 °C.
pounds per gallon - calc. : 7.988 to 8.096
refractive index :1.48300 - 1.48800 @ 20.00 °C.
boiling point : 264.00 - 265.00 °C. @ 760.00 mm Hg
boiling point : 154.00 °C. @ 30.00 mm Hg
logp : 4.62
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for hexyl phenyl acetate usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for hexyl phenyl acetate usage levels up to :
  20.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :226-537-2
chemidplus :005421170
epa-srs :5421-17-0
dtp/nci :6652
  
other : 
 
references : 
jecfa number :1015
fl. number :09.804
pubchem :204052
NIST Chemistry WebBook :3998857580
  
reference : Mosciano, Gerard P&F 20, No. 3, 63, (1995)³
synonyms :
 benzene acetic acid hexyl ester
 hexyl alpha-toluate
 hexyl benzene acetate
 hexyl phenyl acetate
N-hexyl phenyl acetate
 phenyl acetic acid hexyl ester
soluble in :
 alcohol
insoluble in :
 water
stability :
 cream
 hair spray
 lotion
 non-discoloring in most media
 powder
 soap
(odor and/or flavor) blends with :
 allyl cyclohexyl acetate
 allyl nonanoate
isoamyl acetoacetate
isoamyl benzoate
isoamyl laurate
 amyl octanoate
isoamyl tiglate
2-amyl-5 or 6-keto-1,4-dioxane
 benzaldehyde dimethyl acetal
isobutyl acetoacetate
isobutyl alcohol
 butyl angelate
 butyl anthranilate
 butyl hexanoate
 butyl undecylenate
isobutyraldehyde propylene glycol acetal
 cinnamyl alcohol
(E)-cinnamyl alcohol
 clary sage concrete
 cognac oil green
 cognac oil white
 cyclohexyl propionate
 decanal diethyl acetal
9-decenoic acid
 diethyl 1-malate
 diethyl laevo-tartrate
 diethyl malate
 diethyl sebacate
 dimethyl anthranilate
 ethyl (E,Z)-2,4-decadienoate
 ethyl 2-octenoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl aconitate
 ethyl chrysanthemate
 ethyl heptanoate
 ethyl nonanoate
 ethyl octanoate
2-ethyl-4-butanol
 farnesyl acetone
1-furfuryl pyrrole
 geranyl acetate
 geranyl acetoacetate
 grape butyrate
 heptanal
3-heptyl dihydro-5-methyl-2(3H)-furanone
 heptyl formate
2-hexanol
(Z)-3-hexen-1-yl butyrate
(Z)-3-hexen-1-yl formate
(E)-2-hexen-1-yl isovalerate
 hexyl 2-furoate
 hexyl 2-methyl butyrate
 hexyl isobutyrate
 hexyl octanoate
 hydroxycitronellal
 hydroxycitronellal dimethyl acetal
 jasmin cyclopentanol
 lily pentanal
 melon nonenoate
2-methyl butyl 2-methyl butyrate
 methyl butyl phenyl acetate
 methyl decanoate
(E)-methyl geranate
2-methyl heptanoic acid
 methyl hydrocinnamate
 methyl nonanoate
 methyl octanoate
2-methyl undecanal dimethyl acetal
2-methyl-1-butanol
 neryl butyrate
(E,Z)-3,6-nonadien-1-yl acetate
3,6-nonadien-1-yl acetate
2-nonanol
(E)-2-nonen-1-ol
(Z)-3-nonen-1-ol
(Z)-6-nonen-1-ol
 octanol
(E)-2-octen-1-al
 opoponax oil
 opoponax resinoid
 peach pivalate
2-pentanone
 phenethyl octanoate
 phenethyl senecioate
 phenyl acetaldehyde ethylene glycol acetal
 propyl heptanoate
 rhodinol
 rhodinyl phenyl acetate
 rose oil
 sorbyl butyrate
 sorbyl propionate
 terpinyl cinnamate
(E)-2-tetradecen-1-al
(odor and/or flavor) used in :
 cassie acacia farnesiana
 chocolate cocoa
 floral
 foliage
 grape
 honey miel
 mint
 powder
 reseda mignonette
 tea
 tuberose tubereuse
 violet leaf
natural occurrence in :
grape muscat grape
mint
tea



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