benzaldehyde dimethyl acetal
 
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IUPAC name :dimethoxymethylbenzene
InChI :InChI=1/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKey :HEVMDQBCAHEHDY-UHFFFAOYAC
SMILES :COC(C1=CC=CC=C1)OC
(EINECS) number :214-413-0
cas number :1125-88-8
beilstein number :2044501
fema number :2128
coe number :37
jecfa number :837
fl. number :06.003
molar refractivity :43.92 ± 0.3 cm3
parachor :361.6 ± 4.0 cm3
index of refraction :1.488 ± 0.02
surface tension :31.8 ± 3.0 dyne/cm
density :0.999 ± 0.06 g/cm3
polarizability :17.41 ± 0.5 10-24cm3
xlogp : 1.80
molecular weight : 152.1903800
formula :C9 H12 O2
BioActivity Analysis :144137
 
 
fda reg :172.515 h. number :2911.00.5000
organoleptics : 
odor type :green
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
floral almond sharp fruity wine green
taste description³ :at 5.00 ppm.  
Green, sharp and almondy with a cherry pit nuance
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.00700 - 1.01700 @ 25.00 °C.
pounds per gallon - calc. : 8.379 to 8.462
refractive index :1.48800 - 1.49600 @ 20.00 °C.
boiling point : 87.00 - 89.00 °C. @ 18.00 mm Hg
boiling point : 198.00 °C. @ 760.00 mm Hg
logp : 2.24
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Oral-Rat    1220.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) : 157.00  °F.  TCC  ( 69.44 °C. )
  
recommendation for benzaldehyde dimethyl acetal usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for benzaldehyde dimethyl acetal usage levels up to :
  60.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :214-413-0
rtecs :CU5774000 for 1125-88-8
chemidplus :001125888
epa-srs :1125-88-8
dtp/nci :286137
  
other : 
 
references : 
jecfa number :837
fl. number :06.003
pubchem :203673
  
reference : Mosciano, Gerard P&F 23, No. 1, 33, (1998)³
synonyms :
 benzaldehyde dimethyl acetal
alpha,alpha-dimethoxymethyl benzene
(dimethoxymethyl) benzene
 dimethoxyphenyl methane
alpha,alpha-dimethoxytoluene
soluble in :
 alcohol
insoluble in :
 water
stability :
 alkalis
(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 acetophenone
2-acetyl furan
 allyl amyl glycolate
 allyl cyclohexyl propionate
 allyl hexanoate
 almond oil
isoamyl acetate
isoamyl butyrate
isoamyl isovalerate
 benzophenone
 benzyl acetate
 benzyl alcohol
 benzyl cinnamate
 benzyl propionate
 blood orange oil
 bois de rose oil
laevo-carvone
 cassia bark oil
 citronellyl acetate
 citronellyl nitrile
 citrus carbaldehyde
 coumarin
 diethyl malonate
 dihydromyrcenol
 dimethyl anthranilate
 ethyl acetoacetate
 ethyl butyrate
 ethyl cinnamate
 ethyl heptanoate
 ethyl phenyl acetate
isoeugenyl acetate
 fir needle oil
 green acetate
 heliotropin
(Z)-3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl butyrate
 hexyl 2-methyl butyrate
 linalool
 linalool oxide
 linalyl acetate
 methyl acetophenone
para-methyl anisole
 methyl benzoate
 orange oil
 phenethyl acetate
 rose butanoate
alpha-terpinyl acetate
 tetrahydromyrcenol
para-tolyl aldehyde
(odor and/or flavor) used in :
 acacia
 aldehydic
 almond
 almond blossom
 apple
 apple crabapple
 apple green apple
 apricot
 arrack
 balsam
 berry
 blackberry
 bouquet
 brandy
 bread white bread
 briar sweet briar eglantine
 bubblegum
 butterscotch
 cassia
 cassie acacia farnesiana
 cherry
 cherry black cherry
 cherry blossom
 cherry maraschino cherry
 cherry wild cherry
 cinnamon
 citrus
 clove blossom
 coconut
 coconut tropical coconut
 coffee
 cranberry
 elder blossom
 elderberry
 floral
 fruit
 gooseberry
 grenadine
 heliotrope
 herbal
 hibiscus
 loganberry dewberry
 marigold tagete
 mint
 mulberry
 myrtle
 nut
 nut pecan
 nut pistachio
 nut walnut
 papaya
 parsley
 passion blossom
 passion fruit
 peach
 pineapple
 plum
 plum blossom
 pomegranate
 quince
 raspberry
 rhubarb
 rose wild rose
 rum
 spice
 starfruit
 strawberry
 tomato
 topnotes
 tropical
 vanilla
 violet
 whiskey
natural occurrence in :
potato
rhubarb



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