4-methoxysalicylaldehyde
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Notes :
From African medicinal plants: Mondia whitei (Asclepiadaceae), Rhus vulagaris (Anacardiaceae), Sclerocarya caffra (Anacardiaceae).
 
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IUPAC name :2-hydroxy-4-methoxybenzaldehyde
InChI :InChI=1/C8H8O3/c1-11-7-3-2-6(5-9)8(10)4-7/h2-5,10H,1H3
InChIKey :WZUODJNEIXSNEU-UHFFFAOYAF
SMILES :COC1=CC(=C(C=C1)C=O)O
cas number :673-22-3
(EINECS) number :211-604-0
beilstein number :1072443
fema number :4435
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 : 1.70
molecular weight : 152.1473200
formula :C8 H8 O3
BioActivity Analysis :433739
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Sigma-Aldrich-Fluka :2-Hydroxy-4-methoxybenzaldehyde
purum, ≥98.0% (GC)
TCI AMERICA :2-Hydroxy-4-methoxybenzaldehyde
>97.0%(T)

organoleptics :
odor description :
vanillin like

properties :
appearence :colorless to pale yellow clear solid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 41.00 to 43.00 °C. @ 760.00 mm Hg
boiling point : 269.00 to 270.00 °C. @ 760.00 mm Hg
boiling point : 124.00 °C. @ 12.00 mm Hg
flash point : 235.00  °F.  TCC  ( 112.78 °C. )
logP (o/w) : 1.79

safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for 4-methoxysalicylaldehyde usage levels up to :
 not for fragrance use.
 
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 : 24
 average usual ppmaverage maximum ppm
baked goods : 10.00000100.00000
beverages(nonalcoholic) : 5.0000050.00000
beverages(alcoholic) : 20.0000050.00000
breakfast cereal : 10.00000100.00000
cheese : --
chewing gum : 20.00000100.00000
condiments / relishes : --
confectionery froastings : 10.0000050.00000
egg products : --
fats / oils : --
fish products : --
frozen dairy : 10.0000050.00000
fruit ices : --
gelatins / puddings : 10.0000050.00000
granulated sugar : --
gravies : --
hard candy : 20.00000100.00000
imitation dairy : --
instant coffee / tea : 10.0000025.00000
jams / jellies : --
meat products : --
milk products : 10.0000050.00000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 100.000001000.00000
snack foods : --
soft candy : 10.0000050.00000
soups : --
sugar substitutes : --
sweet sauces : 10.0000050.00000

safety references :
EPI System :view
Cancer Citations :Search
Env. Mutagen Info. Center :Search
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 2-hydroxy-4-methoxybenzaldehyde
(EINECS) number :211-604-0
RTECS :BZ2810000 for 673-22-3
chemidplus :000673223
EPA Substance Registry Services :673-22-3
dtp/nci :155334

references :
 2-hydroxy-4-methoxybenzaldehyde
NIST Chemistry WebBook :3799769872
pubchem :211776

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
2-formyl-5-methoxyphenol
2-hydroxy-4-methoxybenzaldehyde
2-hydroxy-para-anisaldehyde
ortho-hydroxy-para-methoxybenzaldehyde

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) used in :
 antioxidants
 heliotrope
 vanilla

natural occurrence in :
decalepis hamiltonii



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