ethyl vanillin isobutyrate
 
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IUPAC name :3-ethoxy-4-hydroxybenzaldehyde; 2-methylpropanoate
InChI :InChI=1/C9H10O3.C4H8O2/c1-2-12-9-5-7(6-10)3-4-8(9)11;1-3(2)4(5)6/h3-6,11H,2H2,1H3;3H,1-2H3,(H,5,6)/p-1/fC9H10O3.C4H7O2/q;-1
InChIKey :RWLGWACAEOZMIO-SZDRPAAPCZ
SMILES :CCOC1=C(C=CC(=C1)C=O)O.CC(C)C(=O)[O-]
cas number :188417-26-7
fema number :3837
jecfa number :953
fl. number :09.933
xlogp : -1.00
molecular weight : 253.2710800
formula :C13 H17 O5
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :
odor type :vanilla
odor strength :medium
odor description :
at 100.00 %.  
sweet creamy vanilla chocolate milk

properties :
appearence :white to pale yellow powder
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 57.00 °C. @ 760.00 mm Hg
boiling point : 295.00 - 296.00 °C. @ 760.00 mm Hg
acid value : 2.00  max.  KOH/g
logp : 1.72

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.61 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :ND (μg/capita/day)
  
flash point ( Deg. F. ) : 246.00  °F.  TCC  ( 118.89 °C. )
  
recommendation for ethyl vanillin isobutyrate usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for ethyl vanillin isobutyrate usage levels up to :
  10.0000 ppm in the flavor.
  

safety links :
chemidplus :188417267
epa-srs :188417-26-7
  

other :
 

references :
jecfa number :953
fl. number :09.933
pubchem :3819438
  
synonyms :
2-ethoxy-4-formyl phenyl isobutyrate
 ethyl vanillin isobutyrate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetanisole
 acetoin
 acetoin acetate
 acetovanillone
 acetyl butyryl
 acetyl isobutyryl
 acetyl isovaleryl
 acetyl nonyryl
 acetyl propionyl
2-acetyl pyrazine
 allyl methyl trisulfide
 allyl nonanoate
alpha-amyl cinnamyl acetate
 amyl phenyl acetate
isoamyl phenyl acetate
 amyl salicylate
6-amyl-alpha-pyrone
ortho-anisaldehyde
para-anisyl acetate
para-anisyl formate
 benzoin
 benzoin absolute siam
 benzoin absolute sumatra
 benzoin resin siam
 benzoin resin sumatra
 benzoin resinoid
 benzoin resinoid siam
 benzoin resinoid sumatra
1-benzoyl acetone
 benzylidene acetone
isobutyl benzyl carbinol
 butyl butyryl lactate
 butyl lactate
 butyl laevo-lactate
 butyl phenyl acetate
isobutyl phenyl acetate
2-butyl thiophene
 butyraldehyde
 butyric acid
2-oxobutyric acid
gamma-butyrolactone
 chocolate notes
 chocolate pyrazine A
 cocoa oleoresin
 coconut decanone
 coumane
 creamy lactone
para-cresyl laurate
 dairy lactone
delta-decalactone
gamma-decalactone
6-decenoic acid
 diacetyl
 dianthus ethone
1,2-dimethoxybenzene
2,4-dimethyl benzaldehyde
4,5-dimethyl-2-ethyl-3-thiazoline
delta-2-dodecenolactone
alpha-ethoxy-ortho-cresol
 ethyl palmitate
 ethyl undecylenate
 ethyl vanillate
 ethyl vanillin
 ethyl vanillin propylene glycol acetal
 farnesyl acetone
 furfural acetone
 glucoethyl vanillin
laevo-glutamine
 guaiacol
 guaiacyl acetate
 heliotropin
 heliotropyl alcohol
 heptanal 2,3-butane diol acetal
(Z)-4-hepten-1-al
(Z)-4-hepten-1-al diethyl acetal
(Z)-4-hepten-1-ol
3-heptyl dihydro-5-methyl-2(3H)-furanone
 ivy dioxolane
 levulinic acid
 massoia lactone
 menthoxypropane diol
 methional
(E)-para-methoxycinnamaldehyde
para-methoxycinnamaldehyde
4-methoxysalicylaldehyde
 methyl (Z)-5-octenoate
 methyl 2-thiofuroate
6-methyl coumarin
 methyl ethoxypyrazine
2-methyl furan
4-methyl guaiacol
 methyl laurate
4-methyl octanoic acid
2-methyl pyrazine
dextro,laevo-3-(methyl thio) butanone
 methyl vanillate
 mint lactone
delta-nonalactone
2-nonanol
1-nonen-3-ol
2,4-octadien-1-ol
gamma-octalactone
3-octen-2-ol
 octyl 2-furoate
 octyl isobutyrate
 peru balsam oil
 phenyl acetic acid
 prenyl benzoate
 propenyl guaethol
 strawberry furanone acetate
delta-tetradecalactone
2,3,5,6-tetramethyl pyrazine
 tricyclodecenyl isobutyrate
2-tridecanone
2,4,5-trimethyl thiazole
delta-undecalactone
gamma-undecalactone
 undecanoic acid
 valeraldehyde
 vanilla absolute
 vanilla carboxylate
 vanilla cresol
 vanilla oleoresin
 vanilla resinoid
 vanillic acid
 vanillin
 vanillin 1,2-butylene glycol acetal (erythro and threo)
 vanillin propylene glycol acetal
 vanillyl acetate
 vanillyl alcohol
 vanillyl butyl ether
 vanillyl ethyl ether
 vanillyl isobutyrate
 vanillylidene acetone
 veratraldehyde
 zingerone
(odor and/or flavor) used in :
 bubblegum
 cappuccino
 caramel
 chocolate cacao
 chocolate cocoa
 cream ice cream
 milk malted milk
 orange
 rum butter rum
natural occurrence in :
not found in nature



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