alpha-amyl cinnamaldehyde dimethyl acetal
Notes :
Fixer in jasmin.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2-(dimethoxymethyl)hept-1-enylbenzene
InChI :InChI=1/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3
InChIKey :QCHZKUPVENJLAW-UHFFFAOYAI
SMILES :CCCCCC(=CC1=CC=CC=C1)C(OC)OC
(EINECS) number :202-104-3
cas number :91-87-2
fema number :2062
coe number :47
jecfa number :681
fl. number :06.013
molar refractivity :77.86 ± 0.3 cm3
parachor :621.6 ± 4.0 cm3
index of refraction :1.513 ± 0.02
surface tension :33.2 ± 3.0 dyne/cm
density :0.959 ± 0.06 g/cm3
polarizability :30.86 ± 0.5 10-24cm3
xlogp : 4.40
molecular weight : 248.3605600
formula :C16 H24 O2
 
 
IUPAC name :[(E)-2-(dimethoxymethyl)hept-1-enyl]benzene
InChI :InChI=1/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3/b15-13+
InChIKey :QCHZKUPVENJLAW-FYWRMAATBQ
SMILES :CCCCC/C(=C\C1=CC=CC=C1)/C(OC)OC
cas number :91-87-2
molar refractivity :77.86 ± 0.3 cm3
parachor :621.6 ± 4.0 cm3
index of refraction :1.513 ± 0.02
surface tension :33.2 ± 3.0 dyne/cm
density :0.959 ± 0.06 g/cm3
polarizability :30.86 ± 0.5 10-24cm3
xlogp : 4.40
molecular weight : 248.3605600
formula :C16 H24 O2
 
 
IUPAC name :[(Z)-2-(dimethoxymethyl)hept-1-enyl]benzene
InChI :InChI=1/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3/b15-13-
InChIKey :QCHZKUPVENJLAW-SQFISAMPBH
SMILES :CCCCC/C(=C/C1=CC=CC=C1)/C(OC)OC
cas number :91-87-2
molar refractivity :77.86 ± 0.3 cm3
parachor :621.6 ± 4.0 cm3
index of refraction :1.513 ± 0.02
surface tension :33.2 ± 3.0 dyne/cm
density :0.959 ± 0.06 g/cm3
polarizability :30.86 ± 0.5 10-24cm3
xlogp : 4.40
molecular weight : 248.3605600
formula :C16 H24 O2
 
 
fda reg :172.515 h. number :2911.00.5000
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
bland jasmin lily green lemon
substantivity :16  Hour(s)
properties : 
appearence :pale yellow clear liquid
assay : 96.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.95300 - 0.96300 @ 25.00 °C.
pounds per gallon - calc. : 7.930 to 8.013
specific gravity :0.95400 - 0.96400 @ 20.00 °C.
pounds per gallon - calc. : 7.947 to 8.031
refractive index :1.50800 - 1.51300 @ 20.00 °C.
boiling point : 300.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 5.37
safety : 
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) : 198.00  °F.  TCC  ( 92.22 °C. )
  
recommendation for alpha-amyl cinnamaldehyde dimethyl acetal usage levels up to :
  8.0000 % in the fragrance concentrate.
  
recommendation for alpha-amyl cinnamaldehyde dimethyl acetal usage levels up to :
  2.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :202-104-3
rtecs :GD6837500 for 91-87-2
chemidplus :91-87-2
epa-srs :91-87-2
  
chemidplus :000091872
epa-srs :91-87-2
  
chemidplus :91-87-2
epa-srs :91-87-2
  
other : 
 
references : 
pubchem :43119464
  
pubchem :203619
  
pubchem :40870501
  
synonyms :
alpha-N-amyl cinnamal dimethyl acetal
alpha-amyl cinnamaldehyde dimethyl acetal
alpha-N-amyl-beta-phenyl acrolein dimethyl acetal
1,1-dimethoxy-2-amyl-3-phenyl-2-propene
1,1-dimethoxy-2-benzylidene heptane
2-(dimethoxymethyl)-1-phenyl-1-heptene
alpha-pentyl cinnamaldehyde dimethyl acetal
soluble in :
 alcohol
insoluble in :
 water
stability :
 alkalis
 amines
 ammonia
(odor and/or flavor) blends with :
alpha-amyl cinnamaldehyde
(odor and/or flavor) used in :
 apple
 floral
 green
 jonquil narcissus jonquilla
 natural
 petal flower petal
 wallflower giroflee
natural occurrence in :
not found in nature



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