acetaldehyde benzyl 2-methoxyethyl acetal
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IUPAC name :((1-(2-methoxyethoxy)ethoxy)methyl)benzene
InChI :InChI=1/C12H18O3/c1-11(14-9-8-13-2)15-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKey :CNGTXGHYZBQUQS-UHFFFAOYAV
SMILES :CC(OCc1ccccc1)OCCOC
cas number :7492-39-9
fema number :2148
coe number :523
jecfa number :840
fl. number :06.019
molar refractivity :59.52 ± 0.3 cm3
parachor :499.3 ± 4.0 cm3
index of refraction :1.484 ± 0.02
surface tension :33.3 ± 3.0 dyne/cm
density :1.012 ± 0.06 g/cm3
polarizability :23.59 ± 0.5 10-24cm3
molecular weight : 210.2695200 (IUPAC)
formula :C12 H18 O3
NMR Predictor :Predict
 
 
export tariff code :2911.00.5000
fda reg :172.515

Suppliers :
Nanjing :benzyl methoxyethyl acetal
Penta :benzyl methoxyethyl acetal

organoleptics :
odor type :green
odor strength :medium
odor description :
at 100.00 %.  
mild sweet green fruity

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.01900 to 1.02500 @ 25.00 °C.
pounds per gallon - calc. : 8.479 to 8.529
refractive index :1.47900 to 1.48900 @ 20.00 °C.
boiling point : 161.00 to 162.00 °C. @ 10.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 210.00  °F.  TCC  ( 98.89 °C. )
logP (o/w) : 2.39

safety :
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) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :1.00 (μg/capita/day)
Structure Class :I
 
recommendation for acetaldehyde benzyl 2-methoxyethyl acetal usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for acetaldehyde benzyl 2-methoxyethyl acetal usage levels up to :
  1.0000 ppm in the flavor.

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
 
 
 
 ((1-(2-methoxyethoxy)ethoxy)methyl)benzene
chemidplus :007492399
EPA Substance Registry Services :7492-39-9

references :
 ((1-(2-methoxyethoxy)ethoxy)methyl)benzene
fl. number :06.019
jecfa number :840
pubchem :204166

other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 acetaldehyde benzyl beta-methoxyethyl acetal
 acetaldehyde benzyl methoxyethyl acetal
1-benzoxy-1-(2-methoxyethoxy)ethane
1-benzoxy-1,2-methoxyethoxyethane
1-benzyl oxy-1-(2-methoxyethoxy)ethane
1-benzyl oxy-1-beta-methoxyethoxyethane
((1-(2-methoxyethoxy)ethoxy)methyl)benzene

soluble in :
 alcohol

insoluble in :
 water

stability :
 alkalis

(odor and/or flavor) blends with :
 acetaldehyde dihexyl acetal
 acetaldehyde methyl hexyl acetal
 allyl amyl glycolate
 allyl butyrate
 allyl tiglate
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde diethyl acetal
isoamyl formate
 amyl hexanoate
isoamyl isovalerate
isoamyl octanoate
 berry pentadienoate
 boronia absolute
 buchu mercaptan
 butyl 2-methyl butyrate
 butyl isobutyrate
isobutyl propionate
 cherry pentenoate
 citronellyl propionate
 cognac heptanone
beta-cyclocitral
2-cyclopentyl cyclopentanone
gamma-damascone
alpha-decalactone
3-decen-2-one
9-decenoic acid
 diethyl malonate
 dihydrolinalool
 dimethyl succinate
6,8-dimethyl-2-nonanol
3,6-dimethyl-3-octanol
(E,E)-2,4-dodecadien-1-ol
 ethyl (E)-2-hexenoate
 ethyl (E)-2-octenoate
 ethyl (E)-4-decenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
 ethyl methyl-para-tolyl glycidate
2-ethyl-4-butanol
 fir carboxylate
 furfuryl propionate
(E)-geranyl acetone
 geranyl isovalerate
 green dioxolane
(E,E)-2,4-heptadien-1-ol
 heptanal cyclic ethylene acetal
2-heptanol
 heptyl isobutyrate
 hexanal propylene glycol acetal
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
2-hexen-1-ol
(Z)-3-hexen-1-yl (E)-2-hexenoate
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(E)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
2-hexen-1-yl acetate
(E)-2-hexen-1-yl formate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(Z)-3-hexen-1-yl isovalerate
(E)-2-hexen-1-yl propionate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
1-hexen-3-yl acetate
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl acetate
 hexyl butyrate
 hexyl isobutyrate
 hexyl isovalerate
 hexyl octanoate
 hexyl pivalate
 hexyl propionate
 lily propanol
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
 linalyl hexanoate
 melon valerate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-hexenoate
 methyl 2-undecynoate
 methyl 4-pentenoate
2-methyl butyl 2-methyl butyrate
(E)-methyl geranate
 methyl heptanoate
 methyl R-3-acetoxyhexanoate
2-methyl valeraldehyde
 methyl valerate
3-methyl valeric acid
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
3-methyl-3-pentanol
 nerolidyl isobutyrate
(E,E)-3,5-octadien-2-one
 octen-1-yl cyclopentanone
 octyl 2-methyl butyrate
 octyl butyrate
 octyl phenyl acetate
 papaya isobutyrate
(E)-2-penten-1-al
2-pentyl furan
 phenoxyethyl isobutyrate
4-phenyl-2-butyl acetate
 pineapple pentenoate
 prenol
 prenyl ethyl ether
 prenyl hexanoate
isopropyl 2-methyl butyrate
alpha-isopropyl phenyl acetaldehyde
 propylene acetal
 rhubarb undecane
 sorbyl isobutyrate
 tetrahydrofurfuryl butyrate
 tetrahydrolinalool
 thiogeraniol
 tiglaldehyde
 timber dioxolane
 tricyclodecyl acetate
 tropical indene
 tropical thiazole
 violet dienyne
 woody acetate

(odor and/or flavor) used in :
 fruit
 green

natural occurrence in :
not found in nature



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