cinnamyl butyrate
Notes :
Fixer for citrus fragrances. Make fragrances hard to copy.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :3-phenylprop-2-enyl butanoate
InChI :InChI=1/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3
InChIKey :YZYPQKZWNXANRB-UHFFFAOYAZ
SMILES :CCCC(=O)OCC=CC1=CC=CC=C1
(EINECS) number :203-128-7
cas number :103-61-7
fema number :2296
coe number :279
jecfa number :652
fl. number :09.053
molar refractivity :62.44 ± 0.3 cm3
parachor :494.1 ± 4.0 cm3
index of refraction :1.537 ± 0.02
surface tension :37.3 ± 3.0 dyne/cm
density :1.021 ± 0.06 g/cm3
polarizability :24.75 ± 0.5 10-24cm3
xlogp : 3.40
molecular weight : 204.2649400
formula :C13 H16 O2
 
 
IUPAC name :[(E)-3-phenylprop-2-enyl] butanoate
InChI :InChI=1/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3/b10-6+
InChIKey :YZYPQKZWNXANRB-UXBLZVDNBR
SMILES :CCCC(=O)OC\C=C\C1=CC=CC=C1
cas number :78761-39-4
fema number :2296
coe number :279
molar refractivity :62.44 ± 0.3 cm3
parachor :494.1 ± 4.0 cm3
index of refraction :1.537 ± 0.02
surface tension :37.3 ± 3.0 dyne/cm
density :1.021 ± 0.06 g/cm3
polarizability :24.75 ± 0.5 10-24cm3
xlogp : 3.40
molecular weight : 204.2649400
formula :C13 H16 O2
 
 
fda reg :172.515 h. number :2915.60.0000
organoleptics : 
odor type :balsamic
odor strength :medium
odor description :
at 100.00 %.  
soft balsam fruity
substantivity :400  Hour(s)
properties : 
appearence :pale yellow clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.01000 - 1.01700 @ 25.00 °C.
pounds per gallon - calc. : 8.404 to 8.462
refractive index :1.52500 - 1.52800 @ 20.00 °C.
boiling point : 300.00 °C. @ 760.00 mm Hg
boiling point : 174.00 °C. @ 20.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 3.68
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )
  
recommendation for cinnamyl butyrate usage levels up to :
  8.0000 % in the fragrance concentrate.
  
recommendation for cinnamyl butyrate usage levels up to :
  15.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :203-128-7
rtecs :ES8815000 for 103-61-7
chemidplus :103-61-7
epa-srs :103-61-7
  
rtecs :ES8815000 for 78761-39-4
chemidplus :000103617
epa-srs :78761-39-4
dtp/nci :30528
  
other : 
 
references : 
jecfa number :652
fl. number :09.053
pubchem :29226484
  
pubchem :150746
NIST Chemistry WebBook :2508860821
  
synonyms :
 butanoic acid 3-phenyl-2-propenyl ester
 butynoic acid 3-phenyl-2-propenyl ester
 butyric acid 3-phenyl-2-propen-1-yl ester
 butyric acid cinnamyl ester
 cinnamyl butanoate
 cinnamyl butyrate
 cinnamyl N-butyrate
3-phenyl allyl butyrate
 phenyl propenyl N-butyrate
3-phenyl-2-propen-1-yl butanoate
3-phenyl-2-propen-1-yl butyrate
3-phenyl-2-propenyl butanoate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 cananga oil
 hydroxycitronellal
 linalool
(odor and/or flavor) used in :
 apple
 apple crabapple
 balsam
 banana
 fixer
 floral
 honey miel
 lily
 modifier
 muguet lily of the valley
 peach
 pear
 rose
 sweet pea pois de senteur
 tuberose tubereuse
 tutti frutti
 wistaria wisteria glycine
natural occurrence in :
apple



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