vanillyl ethyl ether
 
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IUPAC name :4-(ethoxymethyl)-2-methoxyphenol
InChI :InChI=1/C10H14O3/c1-3-13-7-8-4-5-9(11)10(6-8)12-2/h4-6,11H,3,7H2,1-2H3
InChIKey :KOCVACNWDMSLBM-UHFFFAOYAE
SMILES :CCOCC1=CC(=C(C=C1)O)OC
(EINECS) number :236-136-4
cas number :13184-86-6
fema number :3815
jecfa number :887
fl. number :04.094
molar refractivity :50.74 ± 0.3 cm3
parachor :415.0 ± 4.0 cm3
index of refraction :1.517 ± 0.02
surface tension :37.6 ± 3.0 dyne/cm
density :1.087 ± 0.06 g/cm3
polarizability :20.11 ± 0.5 10-24cm3
xlogp : 1.70
molecular weight : 182.2163600
formula :C10 H14 O3
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Cargill - Alfrebro :VANILLIN ETHYL ETHER
20% in Ethanol, Kosher

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

properties :
appearence :pale yellow to amber yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.10600 to 1.11300 @ 25.00 °C.
pounds per gallon - calc. : 9.203 to 9.261
refractive index :1.52800 to 1.53200 @ 20.00 °C.
boiling point : 212.00 °C. @ 760.00 mm Hg
logp : 1.46

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :20.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :22.00 (μg/capita/day)
flash point ( Deg. F. ) : 248.00  °F.  TCC  ( 120.00 °C. )
recommendation for vanillyl ethyl ether usage levels up to :
  0.6000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
publication number : 17. Updated in publication number(s) : 22
 average usual ppmaverage maximum ppm
baked goods : 5.0000015.00000
beverages(nonalcoholic) : 30.00000300.00000
beverages(alcoholic) : 30.00000300.00000
breakfast cereal : 5.0000010.00000
cheese : --
chewing gum : 200.00000600.00000
condiments / relishes : --
confectionery froastings : 100.00000500.00000
egg products : --
fats / oils : --
fish products : --
frozen dairy : 3.000005.00000
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : 100.00000500.00000
imitation dairy : --
instant coffee / tea : 3.0000010.00000
jams / jellies : --
meat products : --
milk products : 20.00000200.00000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : 50.00000500.00000
soft candy : 100.00000500.00000
soups : --
sugar substitutes : --
sweet sauces : --

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
 
 
 4-(ethoxymethyl)-2-methoxyphenol
(EINECS) number :236-136-4
chemidplus :013184866
EPA Substance Registry Services :13184-86-6
NLM Chemical Carcinogenesis Research Information System :13184-86-6
NLM Developmental and Reproductive Toxicity :13184-86-6
NLM Env. Mutagen Info. Center :13184-86-6
NLM GENetic TOXicology :13184-86-6

references :
 4-(ethoxymethyl)-2-methoxyphenol
jecfa number :887
fl. number :04.094
pubchem :197970
NIST Chemistry WebBook :676778108

other :
synonyms :
alpha-ethoxy-2-methoxy-para-cresol
4-(ethoxymethyl)-2-methoxyphenol
 ethyl 4-hydroxy-3-methoxybenzyl ether
 ethyl vanillyl ether
4-hydroxy-3-methoxybenzyl ethyl ether
 vanillyl ethyl ether

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetoin
 acetoin acetate
 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
 benzylidene acetone
isobutyl benzyl carbinol
 butyl butyryl lactate
 butyl lactate
 butyl laevo-lactate
 butyl phenyl acetate
isobutyl phenyl acetate
 butyraldehyde
 butyric acid
2-oxobutyric acid
gamma-butyrolactone
 chocolate notes
 chocolate pyrazine A
 cocoa oleoresin
 coconut decanone
 creamy lactone
 dairy lactone
delta-decalactone
gamma-decalactone
6-decenoic acid
 diacetyl
1,2-dimethoxybenzene
4,5-dimethyl-2-ethyl-3-thiazoline
delta-2-dodecenolactone
 ethyl palmitate
 ethyl undecylenate
 ethyl vanillin
 ethyl vanillin isobutyrate
 ethyl vanillin propylene glycol acetal
 farnesyl acetone
 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
 massoia lactone
 methional
 methyl (Z)-5-octenoate
 methyl 2-thiofuroate
6-methyl coumarin
 methyl ethoxypyrazine
2-methyl furan
 methyl laurate
4-methyl octanoic acid
2-methyl pyrazine
 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
 phenyl acetic acid
 prenyl benzoate
 strawberry furanone acetate
delta-tetradecalactone
2,3,5,6-tetramethyl pyrazine
 tricyclodecenyl isobutyrate
2,4,5-trimethyl thiazole
delta-undecalactone
gamma-undecalactone
 undecanoic acid
 vanilla oleoresin
 vanillic acid
 vanillin
 vanillyl acetate
 vanillyl alcohol
 vanillyl isobutyrate
 vanillylidene acetone

(odor and/or flavor) used in :
 amber
 smoke
 vanilla
 woody

natural occurrence in :
not found in nature



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