benzyl formate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :phenylmethyl formate
InChI :InChI=1/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey :UYWQUFXKFGHYNT-UHFFFAOYAZ
SMILES :C1=CC=C(C=C1)COC=O
(EINECS) number :203-214-4
cas number :104-57-4
beilstein number :2041319
fema number :2145
coe number :344
jecfa number :841
fl. number :09.077
molar refractivity :37.73 ± 0.3 cm3
parachor :312.4 ± 4.0 cm3
index of refraction :1.511 ± 0.02
surface tension :37.8 ± 3.0 dyne/cm
density :1.081 ± 0.06 g/cm3
polarizability :14.95 ± 0.5 10-24cm3
xlogp : 1.70
molecular weight : 136.1479200
formula :C8 H8 O2
BioActivity Analysis :73763
 
 
fda reg :172.515 h. number :2915.13.0000
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
floral fruity spicy jasmin
taste description³ :at 10.00 ppm.  
Fresh cherry, with a berry strawberry fruity nuance
substantivity :8  Hour(s)
properties : 
appearence :colorless to pale yellow clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.08400 - 1.09200 @ 25.00 °C.
pounds per gallon - calc. : 9.020 to 9.087
specific gravity :1.08500 - 1.09300 @ 20.00 °C.
pounds per gallon - calc. : 9.039 to 9.105
refractive index :1.50900 - 1.51400 @ 20.00 °C.
boiling point : 202.00 - 203.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 1.53
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Oral-Rat    1400.00  mg/kg  FCTXAV  11,1019,1973
Dermal Toxicity(LD50) : Skin-Rabbit  2.00  gm/kg  FCTXAV  11,1019,1973
  
flash point ( Deg. F. ) : 180.00  °F.  TCC  ( 82.22 °C. )
  
recommendation for benzyl formate usage levels up to :
  1.0000 % in the fragrance concentrate.
  
recommendation for benzyl formate usage levels up to :
  15.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :203-214-4
rtecs :LQ5400000 for 104-57-4
chemidplus :000104574
epa-srs :104-57-4
dtp/nci :8049
  
other : 
 
references : 
pubchem :150799
NIST Chemistry WebBook :3838374489
  
reference : Mosciano, Gerard P&F 17, No. 3, 57, (1992)³
synonyms :
 benzyl alcohol formate
 benzyl formate
 benzyl methanoate
 formic acid benzyl ester
 formic acid phenyl methyl ester
 phenyl methyl formate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 methyl acetophenone
(odor and/or flavor) used in :
 aldehydic
 apple
 apricot
 balsam
 cherry
 cinnamon
 cranberry
 grape
 heliotrope
 jasmin
 jonesia
 orange
 pineapple
 plum
 prune
 quince
 raspberry
 rose
 strawberry
 tuberose tubereuse
 woodruff asperula
natural occurrence in :
data pagechampaca concrete @ 0.10%
cranberry
data pageosmanthus absolute @ 0.02%



information only - not sold by The Good Scents Company.



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2008 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 06/12/2008