ethyl vanillin propylene glycol acetal
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Notes :
Ethyl vanillin replacer.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
InChI :InChI=1/C12H16O4/c1-3-14-11-6-9(4-5-10(11)13)12-15-7-8(2)16-12/h4-6,8,12-13H,3,7H2,1-2H3
InChIKey :IFUIILQWHYHIEK-UHFFFAOYAF
SMILES :CCOC1=C(C=CC(=C1)C2OCC(O2)C)O
cas number :68527-76-4
(EINECS) number :271-281-7
fema number :3838
jecfa number :954
molar refractivity :59.39 ± 0.3 cm3
parachor :493.5 ± 4.0 cm3
index of refraction :1.524 ± 0.02
surface tension :41.9 ± 3.0 dyne/cm
density :1.156 ± 0.06 g/cm3
polarizability :23.54 ± 0.5 10-24cm3
XlogP : 2.00
molecular weight : 224.2530400 (IUPAC)
formula :C12 H16 O4
NMR Predictor :Predict
 

 
IUPAC name :3-ethoxy-4-hydroxybenzaldehyde
InChI :InChI=1/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
InChIKey :CBOQJANXLMLOSS-UHFFFAOYAD
SMILES :CCOC1=C(C=CC(=C1)C=O)O
cas number :121-32-4
(EINECS) number :204-464-7
beilstein number :1073761
fema number :2464
coe number :108
jecfa number :893
fl. number :05.019
molar refractivity :46.19 ± 0.3 cm3
parachor :363.7 ± 4.0 cm3
index of refraction :1.573 ± 0.02
surface tension :45.5 ± 3.0 dyne/cm
density :1.186 ± 0.06 g/cm3
polarizability :18.31 ± 0.5 10-24cm3
XlogP : 1.70
molecular weight : 166.1739000 (IUPAC)
formula :C9 H10 O3
BioActivity Analysis :68564
NMR Predictor :Predict
 

 
export tariff code :2911.00.5000
fda reg :unspecified

Suppliers :
Apple :Ethyl Vanillin PG Acetal
Bedoukian Research :ETHYL VANILLIN PROPYLENE GLYCOL ACETAL 80-85%
≥75.0% (sum of isomers), Kosher
Odor:  A vanilla odor similar to our #831 but contains ca. 20% Ethyl Vanillin.
Bedoukian Research :ETHYL VANILLIN PROPYLENE GLYCOL ACETAL
≥98.0% (sum of isomers), Kosher
Odor:  A vanilla odor with a spicy, clove like undertone.
Inoue :ETHYL VANILLIN PG ACETAL
Penta :ethyl vanillin propylene glycol acetal
Vigon :Ethyl Vanillin P.G. Acetal

organoleptics :
odor type :vanilla
odor strength :medium
odor description :
at 100.00 %.  
sweet vanilla creamy spicy
substantivity :304  Hour(s)

properties :
appearence :pale yellow to yellow viscous liquid
assay : 99.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.15800 to 1.16800 @ 25.00 °C.
pounds per gallon - calc. : 9.636 to 9.719
refractive index :1.52600 to 1.53600 @ 20.00 °C.
boiling point : 160.00 °C. @ 1.00 mm Hg
boiling point : 346.00 to 347.00 °C. @ 760.00 mm Hg
vapor pressure :0.00002 mm/Hg @ 25.00 °C.
flash point : 230.00  °F.  TCC  ( 110.00 °C. )
logP (o/w) : 1.62

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.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for ethyl vanillin propylene glycol acetal usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for ethyl vanillin propylene glycol acetal usage levels up to :
  25.0000 ppm in the flavor.

safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
(EINECS) number :271-281-7
chemidplus :068527764
EPA Substance Registry Services :68527-76-4
 
 
 3-ethoxy-4-hydroxybenzaldehyde
(EINECS) number :204-464-7
RTECS :CU6125000 for 121-32-4
chemidplus :000121324
EPA Substance Registry Services :121-32-4
dtp/nci :1803

references :
 2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
jecfa number :954
pubchem :686804
 3-ethoxy-4-hydroxybenzaldehyde
fl. number :05.019
jecfa number :893
NIST Chemistry WebBook :3150114248
pubchem :151624

other :
synonyms :
2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl) phenol
2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol

soluble in :
 alcohol

insoluble in :
 water

stability :
 alkali

(odor and/or flavor) blends with :
 acetanisole
 acetoin
 acetoin acetate
 acetovanillone
 acetyl butyryl
 acetyl isobutyryl
 acetyl isovaleryl
 acetyl nonyryl
 acetyl propionyl
 allyl methyl trisulfide
 allyl nonanoate
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
 butyric acid
2-oxobutyric acid
gamma-butyrolactone
 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
delta-2-dodecenolactone
alpha-ethoxy-ortho-cresol
 ethyl palmitate
 ethyl undecylenate
 ethyl vanillate
 ethyl vanillin
 ethyl vanillin isobutyrate
 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
 levulinic acid
 massoia lactone
 menthoxypropane diol
 methional
(E)-para-methoxycinnamaldehyde
para-methoxycinnamaldehyde
4-methoxysalicylaldehyde
 methyl (Z)-5-octenoate
 methyl 2-thiofuroate
6-methyl coumarin
4-methyl guaiacol
 methyl laurate
4-methyl octanoic acid
 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
 propenyl guaethol
 strawberry furanone acetate
delta-tetradecalactone
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 :
 chocolate cacao
 cream
 dairy
 marshmallow
 spice
 vanilla
 woody

natural occurrence in :
not found in nature



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