hexyl cinnamate
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IUPAC name :hexyl (E)-3-phenylprop-2-enoate
InChI :InChI=1/C15H20O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h5-7,9-12H,2-4,8,13H2,1H3/b12-11+
InChIKey :UYWPFEKMTYDVQM-VAWYXSNFBT
SMILES :CCCCCCOC(=O)\C=C\C1=CC=CC=C1
cas number :3488-00-4
(EINECS) number :222-479-7
molar refractivity :71.71 ± 0.3 cm3
parachor :573.6 ± 4.0 cm3
index of refraction :1.527 ± 0.02
surface tension :36.7 ± 3.0 dyne/cm
density :0.997 ± 0.06 g/cm3
polarizability :28.42 ± 0.5 10-24cm3
XlogP : 4.70
molecular weight : 232.3181000
formula :C15 H20 O2
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Penta :hexyl cinnamate

organoleptics :
odor type :balsamic
odor strength :medium
odor description :¹
at 100.00 %.  
cypress cuminic acetate fruity balsam
odor sample from :CTC Organics

properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99700 @ 25.00 °C.
refractive index :1.50150 @ 25.00 °C.
boiling point : 324.00 °C. @ 760.00 mm Hg
flash point : 354.00  °F.  TCC  ( 178.89 °C. )
logP (o/w) : 4.83

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

safety in use :
 
recommendation for hexyl cinnamate usage levels up to :
  3.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 
 hexyl (E)-3-phenylprop-2-enoate
(EINECS) number :222-479-7
chemidplus :003488004
EPA Substance Registry Services :3488-00-4

references :
 hexyl (E)-3-phenylprop-2-enoate
pubchem :684622

other :
reference : Luebke, William tgsc, (1993)¹
synonyms :
 hexyl (E)-3-phenyl prop-2-enoate
 hexyl (E)-3-phenylprop-2-enoate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
alpha-amyl cinnamyl acetate
alpha-amyl cinnamyl alcohol
 benzyl acetone
isobornyl phenyl acetate
 butyl benzoate
isobutyl cinnamate
 carrot seed oil
 celery ketone
 celery undecene
 cinnamaldehyde / methyl anthranilate schiff's base
 cinnamyl acetate
 cinnamyl alcohol
 cinnamyl anthranilate
 cinnamyl benzoate
 cinnamyl butyrate
 cinnamyl cinnamate
 cinnamyl formate
 cinnamyl hexanoate
 cinnamyl isobutyrate
 cinnamyl isovalerate
(E)-cinnamyl nitrile
 cinnamyl phenyl acetate
 cinnamyl propionate
 cinnamyl salicylate
 cinnamyl tiglate
 cinnamyl valerate
 cistus absolute
 cumin acetaldehyde
 cumin carbinol
 cumin oleoresin
 cumin seed absolute
 cumin seed oil
 cuminaldehyde
 cuminyl alcohol
 cuminyl nitrile
2-cyclohexyl cyclohexanone
 dihydrocarvyl acetate
 ethyl cinnamate
(Z)-3-hexen-1-yl cinnamate
 lilyall
 linalyl cinnamate
 methyl furfuracrylate
 nonisyl acetate
 octyl benzoate
 octyl cinnamate
 perillaldehyde
 peru balsam oil
 peru balsam resinoid
2-phenoxyethyl formate
3-phenyl propyl isobutyrate
 phenyl salicylate
 pine needle oil dwarf
 poplar bud oleoresin
 prenyl benzoate
 propyl 2-furan acrylate
4-isopropyl-2-cyclohexenone
 santalyl butyrate
 savory oil summer
 savory oil winter
 spicy acetoacetate
 terpinyl benzoate
 terpinyl butyrate
(±)-1,2,5,6-tetrahydrocuminic acid
 tetrahydrofurfuryl cinnamate

(odor and/or flavor) used in :
 balsam
 cypress
 dry
 powder
 sap
 woody

natural occurrence in :
not found in nature



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