citronellyl phenyl acetate
Notes :
Gives naturalness to blossom fragrances.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :3,7-dimethyloct-6-enyl 2-phenylacetate
InChI :InChI=1/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-11,16H,7,9,12-14H2,1-3H3
InChIKey :CVJBFMVLVJZZMM-UHFFFAOYAV
SMILES :CC(CCC=C(C)C)CCOC(=O)CC1=CC=CC=C1
(EINECS) number :205-373-5
cas number :139-70-8
fema number :2315
coe number :2157
jecfa number :1021
fl. number :09.785
molar refractivity :83.76 ± 0.3 cm3
parachor :687.2 ± 4.0 cm3
index of refraction :1.500 ± 0.02
surface tension :34.0 ± 3.0 dyne/cm
density :0.964 ± 0.06 g/cm3
polarizability :33.20 ± 0.5 10-24cm3
xlogp : 5.60
molecular weight : 274.3978400
formula :C18 H26 O2
 
 
fda reg :172.515 h. number :2916.35.1500
 
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
fresh sweet honey rose waxy
substantivity :192  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.96400 - 0.95400 @ 20.00 °C.
pounds per gallon - calc. : 8.031 to 7.947
refractive index :1.49100 - 1.50100 @ 20.00 °C.
boiling point : 342.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 6.07
safety : 
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for citronellyl phenyl acetate usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for citronellyl phenyl acetate usage levels up to :
  20.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :205-373-5
chemidplus :000139708
epa-srs :139-70-8
  
other : 
 
references : 
jecfa number :1021
fl. number :09.785
pubchem :151923
  
synonyms :
 benzene acetic acid 3,7-dimethyl-6-octenyl ester
 citronellyl alpha-toluate
 citronellyl phenyl acetate
3,7-dimethyl-6-octen-1-yl phenyl acetate
3,7-dimethyl-6-octenyl benzene acetate
 phenyl acetic acid 3,7-dimethyl-6-octenyl ester
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
isoamyl undecylenate
 butyl phenyl acetate
 citronellal
 citronellol
 citronellyl isovalerate
 cocoa pentenal
para-cresyl phenyl acetate
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
9-decen-1-al
9-decen-1-ol
 decyl butyrate
2,6-dimethyl octanal
 dimethyl octanol
 ethyl hydrocinnamate
 ethyl nonanoate
 ethyl phenyl acetate
 geraniol
(E)-geranyl acetone
 geranyl butyrate
 geranyl phenyl acetate
2-heptyl tetrahydrofuran
 hydroxycitronellal dimethyl acetal
 linalyl phenyl acetate
 octyl isovalerate
 phenethyl acetate
 phenethyl furoate
 phenethyl phenyl acetate
 rhodinol
 rose absolute
 rose butanoate
 rose carboxylate
 rose oil turkey
 tmh aldehyde
 undecanol
10-undecen-1-al
(E)-2-undecen-1-ol
2-undecen-1-ol
(E)-2-undecen-1-yl acetate
 waxy acetate
(odor and/or flavor) used in :
 blossom
 chocolate cocoa
 honey miel
 honeysuckle chevrefeuille
 narcissus narcisse
 neroli
 orange blossom fleur d'oranger
 rose
natural occurrence in :
not found in nature



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Html Last modified 09/27/2008