vanillin propylene glycol acetal
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Notes :
Vanillin replacer.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
InChI :InChI=1/C11H14O4/c1-7-6-14-11(15-7)8-3-4-9(12)10(5-8)13-2/h3-5,7,11-12H,6H2,1-2H3
InChIKey :RFGCVZIIIHRESZ-UHFFFAOYAE
SMILES :CC1COC(O1)C2=CC(=C(C=C2)O)OC
cas number :68527-74-2
(EINECS) number :271-279-6
fema number :3905
jecfa number :1882
fl. number :06.104
molar refractivity :54.75 ± 0.3 cm3
parachor :453.7 ± 4.0 cm3
index of refraction :1.529 ± 0.02
surface tension :42.7 ± 3.0 dyne/cm
density :1.184 ± 0.06 g/cm3
polarizability :21.70 ± 0.5 10-24cm3
XlogP : 1.50
molecular weight : 210.2264600 (IUPAC)
formula :C11 H14 O4
NMR Predictor :Predict
 
 
IUPAC name :4-hydroxy-3-methoxybenzaldehyde
InChI :InChI=1/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIKey :MWOOGOJBHIARFG-UHFFFAOYAS
SMILES :COC1=C(C=CC(=C1)C=O)O
cas number :121-33-5
% from :18.00% to 20.00%
(EINECS) number :204-465-2
beilstein number :0472792
fema number :3107
coe number :107
jecfa number :889
fl. number :05.018
molar refractivity :41.56 ± 0.3 cm3
parachor :324.0 ± 4.0 cm3
index of refraction :1.587 ± 0.02
surface tension :47.3 ± 3.0 dyne/cm
density :1.231 ± 0.06 g/cm3
polarizability :16.47 ± 0.5 10-24cm3
XlogP : 1.20
molecular weight : 166.1739000 (IUPAC)
formula :C9 H10 O3
BioActivity Analysis :79257
NMR Predictor :Predict
 
 
export tariff code :2911.00.5000
fda reg :unspecified
Suppliers :
Apple :Vanillin PG Acetal
Bedoukian Research :VANILLIN PROPYLENE GLYCOL ACETAL 75-85%
≥75.0% (sum of isomers), Kosher
Odor:  Intense vanilla aroma
Bedoukian Research :VANILLIN PROPYLENE GLYCOL ACETAL
≥97.0% (sum of isomers), Kosher
Odor:  sweet, vanilla
Berje :Vanillin P.G. Acetal
Inoue :VANILLIN PG ACETAL
Penta :vanillin propylene glycol acetal
organoleptics :
odor type :vanilla
odor strength :medium
odor description :¹
at 100.00 %.  		sweet vanilla chocolate creamy dairy powdery
odor sample from :Nickstadt Moeller, Inc.
substantivity :400  Hour(s)
properties :
appearence :yellow brown viscous liquid
assay : 79.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.19000 to 1.20600 @ 25.00 °C.
pounds per gallon - calc. : 9.902 to 10.035
refractive index :1.53700 to 1.54300 @ 20.00 °C.
boiling point : 154.00 °C. @ 1.00 mm Hg
flash point : 230.00  °F.  TCC  ( 110.00 °C. )
logP (o/w) : 1.09
safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :100.00 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3900 (μg/person/day)
Threshold of concern :540 (μg/person/day)
Structure Class :II
 
recommendation for vanillin propylene glycol acetal usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for vanillin propylene glycol acetal usage levels up to :
  50.0000 ppm in the flavor.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0) : 10.0000050.00000
Processed fruit (04.1) : 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 5.0000025.00000
Bakery wares (07.0) : 10.0000050.00000
Meat and meat products, including poultry and game (08.0) : 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 2.0000010.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0) : 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 10.0000050.00000
Ready-to-eat savouries (15.0) : 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 5.0000025.00000
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
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
(EINECS) number :271-279-6
chemidplus :068527742
EPA Substance Registry Services :68527-74-2
 
 
 4-hydroxy-3-methoxybenzaldehyde
(EINECS) number :204-465-2
RTECS :YW5775000 for 121-33-5
chemidplus :000121335
EPA Substance Registry Services :121-33-5
dtp/nci :15351
references :
 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
fl. number :06.104
jecfa number :1882
pubchem :686802
 4-hydroxy-3-methoxybenzaldehyde
fl. number :05.018
jecfa number :889
NIST Chemistry WebBook :1410779504
pubchem :151625
other :
reference : Luebke, William tgsc, (1984)¹
synonyms :
2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl) phenol
2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
soluble in :
 alcohol
 triacetin
insoluble in :
 water
 fat
stability :
 stable in alkali with little discoloration
(odor and/or flavor) blends with :
 amber carane
 atractylis root oil
 benzoin resin sumatra
 benzoin resinoid sumatra
 carvacrol
 caryophyllene
beta-caryophyllene
isocaryophyllene
alpha-caryophyllene alcohol
 caryophyllene alcohol acetate
 cascarilla bark oil
 cedarwood oil atlas
 chamomile oil
 cinnamon bark oil
 cinnamon bark oil (cinnamomum zeylanicum blume) india
 cinnamon leaf oil
 cinnamon oleoresin
 clove bud absolute
alpha-copaene
 frankincense absolute
 frankincense resinoid
 galangal root oil
(E)-germacrene D
 ginger root oil
 ginger root oil brazil
 grains of paradise oil
 guaiacol
 guaiacwood oil
 guaiacyl acetate
 guaiyl acetate
 huon pine wood oil
 juniper berry oleoresin
 mace oil
 methyl phenyl sulfide
 methyl vanillate
 mimosa absolute
 octanal diethyl acetal
3-octanol
 opoponax absolute
 orthodon dianthera maxim. oil vietnam
 parsley seed oil
 patchouli absolute
 pimento berry absolute
 pine needle oil dwarf
 propenyl guaethol
 rhubarb oxirane
 rose concrete
 salvia atropatana bunge oil iran
 spicy carbonate
 spicy pentanone
 spikenard oil
 tansy flower oil canada
 tansy flower oil dutch
 tansy leaf oil dutch
 tansy oil
 theaspirane
(E)-tiglic acid
 turmeric oleoresin
 turmeric root absolute
 valeraldehyde
 vanilla cresol
 vanillin propylene glycol acetal
 veratraldehyde
 zedoary bark oil
 zingerone
(odor and/or flavor) used in :
 chocolate cocoa
 cream
 dairy
 marshmallow
 oriental
 spice
 vanilla
 woody
natural occurrence in :
not found in nature



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