alpha-amyl cinnamyl formate
 
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IUPAC name :2-(phenylmethylidene)heptyl formate
InChI :InChI=1/C15H20O2/c1-2-3-5-10-15(12-17-13-16)11-14-8-6-4-7-9-14/h4,6-9,11,13H,2-3,5,10,12H2,1H3
InChIKey :AWNFWGNFOOJDNO-UHFFFAOYAK
SMILES :O=COC/C(=C\c1ccccc1)CCCCC
(EINECS) number :231-341-5
cas number :7493-79-0
fema number :2066
coe number :357
jecfa number :676
fl. number :09.090
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 : 4.30
molecular weight : 232.3181000
formula :C15 H20 O2
 
 
IUPAC name :[(2E)-2-(phenylmethylidene)heptyl] formate
InChI :InChI=1/C15H20O2/c1-2-3-5-10-15(12-17-13-16)11-14-8-6-4-7-9-14/h4,6-9,11,13H,2-3,5,10,12H2,1H3/b15-11+
InChIKey :AWNFWGNFOOJDNO-RVDMUPIBBG
SMILES :CCCCC/C(=C\C1=CC=CC=C1)/COC=O
cas number :7493-79-0
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 : 4.30
molecular weight : 232.3181000
formula :C15 H20 O2
 
 
IUPAC name :[(2Z)-2-(phenylmethylidene)heptyl] formate
InChI :InChI=1/C15H20O2/c1-2-3-5-10-15(12-17-13-16)11-14-8-6-4-7-9-14/h4,6-9,11,13H,2-3,5,10,12H2,1H3/b15-11-
InChIKey :AWNFWGNFOOJDNO-PTNGSMBKBH
SMILES :CCCCC/C(=C/C1=CC=CC=C1)/COC=O
cas number :7493-79-0
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 : 4.30
molecular weight : 232.3181000
formula :C15 H20 O2
 
 
fda reg :172.515 h. number :2915.13.0000
organoleptics : 
odor type :herbal
odor strength :medium
odor description :
at 100.00 %.  
sweet oily herbal green
properties : 
appearence :colorless clear liquid
assay : 96.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
boiling point : 328.00 - 329.00 °C. @ 760.00 mm Hg
logp : 4.83
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 305.00  °F.  TCC  ( 151.67 °C. )
  
recommendation for alpha-amyl cinnamyl formate usage levels up to :
  1.0000 % in the fragrance concentrate.
  
recommendation for alpha-amyl cinnamyl formate usage levels up to :
  2.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :231-341-5
chemidplus :7493-79-0
epa-srs :7493-79-0
  
chemidplus :7493-79-0
epa-srs :7493-79-0
  
chemidplus :007493790
epa-srs :7493-79-0
  
other : 
 
references : 
jecfa number :676
fl. number :09.090
pubchem :7493-79-0
  
pubchem :34182782
  
pubchem :197670
  
synonyms :
alpha-amyl cinnamyl formate
alpha-N-amyl-beta-phenyl acryl formate
alpha-amyl-beta-phenyl acryl isovalerate
2-benzylidene-1-heptyl formate
alpha-pentyl cinnamyl formate
2-(phenyl methylene) heptyl formate
2-(phenyl methylene)-1-heptanol formate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 chypre
 floral
 heather
 herbal
 hyacinth jacinthe
 jasmin
 oriental
 woody
natural occurrence in :
not found in nature



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Html Last modified 08/14/2008