vanillyl ethyl ether
Suppliers  organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
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
cas number :13184-86-6
(EINECS) number :236-136-4
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 (IUPAC)
formula :C10 H14 O3
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Cargill :VANILLIN ETHYL ETHER
20% in Ethanol, Kosher
Odor:  Sweet, fruity
Penta :vanillyl ethyl ether
organoleptics :
odor type :phenolic
odor strength :medium
odor description:
at 20.00 % in ethyl alcohol.  		alcoholic rum sweet chocolate creamy vanilla spicy nutmeg smoky
Luebke, William tgsc, (2009)
odor sample from :Cargill, Inc.
substantivity :> 400 hour(s) at 20.00 % in ethyl alcohol
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
flash point : 248.00  °F.  TCC  ( 120.00 °C. )
logP (o/w) : 1.46
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) : 
  Oral-Rat    >2000.00  mg/kg
(Dufour, 1994)

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :20.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :22.00 (μg/capita/day)
 
recommendation for vanillyl ethyl ether fragrance 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).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 17. Update 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
Canada Domestic Sub. List :Yes
 
WGK Germany :3
 
 
 
 
4-(ethoxymethyl)-2-methoxyphenol
(EINECS) number :236-136-4
chemidplus :013184866
EPA Substance Registry Services :13184-86-6
references :
 
4-(ethoxymethyl)-2-methoxyphenol
fl. number :04.094
jecfa number :887
NIST Chemistry WebBook :676778108
pubchem :197970
other :
FDA Everything Added to Food in the United States (EAFUS)View
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
 vanillin ethyl ether
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetoinFL/FR
 acetoin acetateFL/FR
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
 acetyl isovalerylFL
 acetyl nonyrylFL/FR
 acetyl propionylFL/FR
2-acetyl pyrazineFL/FR
 allyl methyl trisulfideFL
 allyl nonanoateFL/FR
alpha-amyl cinnamyl acetateFL/FR
 amyl phenyl acetateFL/FR
isoamyl phenyl acetateFL/FR
 amyl salicylateFL/FR
6-amyl-alpha-pyroneFL/FR
 benzylidene acetoneFL
isobutyl benzyl carbinolFL/FR
 butyl butyryl lactateFL/FR
 butyl lactateFL/FR
 butyl laevo-lactateFL/FR
 butyl phenyl acetateFL/FR
isobutyl phenyl acetateFL/FR
 butyraldehydeFL
 butyric acidFL
2-oxobutyric acidFL
gamma-butyrolactoneFL/FR
 chocolate notes 
 chocolate pyrazine AFL/FR
 cocoa oleoresinFL
 coconut decanoneFR
 creamy lactoneFL/FR
 dairy lactoneFL/FR
delta-decalactoneFL/FR
gamma-decalactoneFL/FR
6-decenoic acidFL
 diacetylFL
1,2-dimethoxybenzeneFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL
delta-2-dodecenolactoneFL/FR
 ethyl palmitateFL/FR
 ethyl undecylenateFL/FR
 ethyl vanillinFL/FR
 ethyl vanillin isobutyrateFL/FR
 ethyl vanillin propylene glycol acetalFL/FR
 farnesyl acetoneFL/FR
 heptanal 2,3-butane diol acetalFL
(Z)-4-hepten-1-alFL/FR
(Z)-4-hepten-1-al diethyl acetalFL/FR
(Z)-4-hepten-1-olFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
 massoia lactoneFL
 methionalFL
 methyl (Z)-5-octenoateFL
 methyl 2-thiofuroateFL
6-methyl coumarinFL
 methyl ethoxypyrazineFL
2-methyl furanFL
 methyl laurateFL/FR
4-methyl octanoic acidFL
2-methyl pyrazineFL/FR
 mint lactoneFL/FR
delta-nonalactoneFL/FR
2-nonanolFL/FR
1-nonen-3-olFL/FR
2,4-octadien-1-olFL/FR
gamma-octalactoneFL/FR
3-octen-2-olFL/FR
 octyl 2-furoateFL
 octyl isobutyrateFL/FR
 phenyl acetic acidFL/FR
 prenyl benzoateFL/FR
 strawberry furanone acetateFL/FR
delta-tetradecalactoneFL/FR
2,3,5,6-tetramethyl pyrazineFL
 tricyclodecenyl isobutyrateFR
2,4,5-trimethyl thiazoleFL/FR
delta-undecalactoneFL/FR
gamma-undecalactoneFL/FR
 undecanoic acidFL/FR
 vanilla oleoresinFL/FR
 vanillic acidFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
 vanillyl alcoholFL/FR
 vanillyl isobutyrateFL/FR
 vanillylidene acetoneFL/FR
potential uses :
 amber
 smoke
 vanilla
 woody
natural occurrence in :    note
 not found in nature  

information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 03/10/2010