vanillin
Notes :
Enhancers are veratrole, acetovanillin, isovanillin, homovanillin,dimothoxyacetophenone, or methyl zingerone.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
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
(EINECS) number :204-465-2
cas number :121-33-5
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
formula :C9 H10 O3
BioActivity Analysis :79257
 
 
fda reg :135.110
169.180
169.181
169.182
182.60
182.90
h. number :2912.41.0000
 
organoleptics : 
odor type :vanilla
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
sweet vanilla creamy chocolate
substantivity :400  Hour(s)
properties : 
appearence :white to off white crystalline powder
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
melting point : 81.00 - 84.00 °C. @ 760.00 mm Hg
boiling point : 285.00 - 286.00 °C. @ 760.00 mm Hg
boiling point : 170.00 - 171.00 °C. @ 15.00 mm Hg
logp : 1.21
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Oral-Rat    1580.00  mg/kg  FCTXAV  2,327,1964
Dermal Toxicity(LD50) : Skin-Rabbit  >5010.00  mg/kg  NTIS**  OTS0533712
  
flash point ( Deg. F. ) :> 200.00  °F.  TCC  ( > 93.33 °C. )
  
recommendation for vanillin usage levels up to :
  8.0000 % in the fragrance concentrate.
  
recommendation for vanillin usage levels up to :
  40.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :204-465-2
rtecs :YW5775000 for 121-33-5
chemidplus :000121335
epa-srs :121-33-5
dtp/nci :15351
  
other : 
  C of A     
references : 
jecfa number :889
fl. number :05.018
pubchem :151625
NIST Chemistry WebBook :1410779504
  
synonyms :
4-formyl-2-methoxyphenol
4-hydroxy-3-methoxybenzaldehyde
4-hydroxy-5-methoxybenzaldehyde
4-hydroxy-meta-anisaldehyde
para-hydroxy-meta-methoxybenzaldehyde
2-methoxy-4-formyl phenol
3-methoxy-4-hydroxybenzaldehyde
 methyl protocatechuic aldehyde
 protocatechualdehyde-3-methyl ether
 vanillaldehyde
 vanillic aldehyde
 vanillin
soluble in :
 chloroform
 dipropylene glycol
 ether
 ethyl alcohol, 1:2 in 95% alcohol
 ethyl alcohol, 1:3 in 70% alcohol
 ethyl alcohol, 4 parts in 50% alcohol
insoluble in :
 paraffin oil
stability :
 cream
 hair spray
 lotion
 powder
(odor and/or flavor) blends with :
 acetanisole
 acetoin
 acetoin acetate
 acetophenone
 acetovanillone
 acetyl butyryl
2-acetyl furan
 acetyl isobutyryl
 acetyl isovaleryl
 acetyl methyl anthranilate
 acetyl nonyryl
 acetyl propionyl
2-acetyl pyrazine
2-acetyl-2-thiazoline
 allspice oil
 allyl methyl trisulfide
 allyl nonanoate
 amber formate
 ambrette seed oil
isoamyl phenyl acetate
6-amyl-alpha-pyrone
(E)-anethol
ortho-anisaldehyde
para-anisaldehyde
para-anisaldehyde / methyl anthranilate schiff's base
 anise seed oil
para-anisyl acetate
para-anisyl alcohol
para-anisyl formate
 anisyl propanal / methyl anthranilate schiff's base
 beeswax absolute
 benzoin
 benzoin absolute siam
 benzoin absolute sumatra
 benzoin resinoid
 benzoin resinoid siam
 benzoin resinoid sumatra
 benzophenone
1-benzoyl acetone
 benzyl cinnamate
 benzyl isoeugenol
 benzylidene acetone
 blood orange oil
isobutyl benzoate
isobutyl benzyl carbinol
 butyl butyryl lactate
isobutyl cinnamate
 butyl lactate
 butyl laevo-lactate
 butyric acid
2-oxobutyric acid
gamma-butyrolactone
 caramel furanone
laevo-carvone
 cassia bark oil
 cedarwood oils
 cedryl methyl ether
 cherry oxyacetate
 cinnamyl alcohol
(E)-cinnamyl alcohol
 civet absolute
 clove bud oil
 cocoa butenal
 cocoa oleoresin
 cocoa pentenal
 coconut decanone
 coffee furanone
 copaiba balsam oil
 costus valerolactone
 coumane
 coumarin
 creamy lactone
para-cresyl laurate
 cyclohexadecanone
 cyclohexyl acetic acid
 cyclohexyl ethyl alcohol
 dairy lactone
alpha-damascone
beta-damascone
 davana oil
delta-decalactone
gamma-decalactone
6-decenoic acid
 diacetyl
 dianthus ethone
 dihydroanethol
1,2-dimethoxybenzene
 dimethyl alpha-ionone
 dimethyl anthranilate
2,4-dimethyl benzaldehyde
 divanillin
delta-2-dodecenolactone
alpha-ethoxy-ortho-cresol
 ethyl cinnamate
 ethyl maltol
 ethyl methyl-para-tolyl glycidate
 ethyl palmitate
 ethyl phenyl acetate
 ethyl undecylenate
 ethyl vanillate
 ethyl vanillin
 ethyl vanillin isobutyrate
 ethyl vanillin propylene glycol acetal
 ethylene brassylate
isoeugenyl acetate
 farnesyl acetone
 fir balsam absolute
 floral pyranol
 furfural acetone
 geranyl phenyl acetate
 glucoethyl vanillin
laevo-glutamine
 guaiacol
 guaiacwood oil
 guaiacyl acetate
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetate
 heliotropyl acetone
 heliotropyl alcohol
 heliotropyl diethyl acetal
gamma-heptalactone
 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
(Z)-3-hexen-1-yl propionate
 hyacinth ether
(E)-beta-ionone
 ionones
alpha-irone
 labdanum resinoid
 levulinic acid
 lilac acetaldehyde
 maltol
 massoia lactone
 menthoxypropane diol
 methional
2'-methoxyacetophenone
(E)-para-methoxycinnamaldehyde
para-methoxycinnamaldehyde
4-methoxysalicylaldehyde
 methyl (Z)-5-octenoate
 methyl 2-thiofuroate
 methyl alpha-ionone
para-methyl anisole
alpha-methyl cinnamaldehyde
 methyl cinnamate
6-methyl coumarin
 methyl cyclopentenolone
 methyl dihydrojasmonate
4-methyl guaiacol
para-methyl hydratropaldehyde
iso-alpha-methyl ionone
alpha-isomethyl ionone (90% min.)
 methyl ionone gamma supreme
 methyl ionones
 methyl ionyl acetate
 methyl isoeugenol
 methyl laurate
4-methyl octanoic acid
 methyl phenyl acetate
 methyl vanillate
 mint lactone
dextro,laevo-muscone
normuscone
 musk amberol
 musk indane
 musk tetralin
 musks
beta-naphthyl ethyl ether
 nerolidol
delta-nonalactone
gamma-nonalactone
2-nonanol
(Z)-6-nonen-1-al
1-nonen-3-ol
2,4-octadien-1-ol
gamma-octalactone
3-octen-2-ol
 octyl 2-furoate
 octyl isobutyrate
 orange oil
 orris root resinoid
 patchouli ethanone
 patchouli oil
 peach pivalate
omega-pentadecalactone
 peony alcohol
 peru balsam oil
 peru balsam resinoid
 phenethyl acetate
 phenethyl alcohol
 phenethyl isobutyrate
 phenethyl phenyl acetate
 phenoxyethyl isobutyrate
 phenyl acetic acid
3-phenyl propyl alcohol
 phthalide
 powdery ketone
 powdery notes
 propenyl guaethol
isopropyl phenyl acetate
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinol
 rhodinyl phenyl acetate
 sandal pentanol
 santall
(+)-alpha-santalyl acetate
 strawberry furanone
 strawberry furanone acetate
delta-tetradecalactone
 thioguaiacol
 timber propanol
 tobacco dodecane
 tolualdehydes (mixed o/m/p)
 tonka bean absolute
2,3,5-trimethyl pyrazine
2,5,9-trimethyl-4,9-decadien-1-al
delta-undecalactone
gamma-undecalactone
 undecanoic acid
 valeraldehyde
 vanilla absolute
 vanilla carboxylate
 vanilla cresol
 vanilla oleoresin
 vanilla resinoid
 vanillic acid
 vanillin 1,2-butylene glycol acetal (erythro and threo)
 vanillin menthoxypropane diol acetal
 vanillin propylene glycol acetal
 vanillyl acetate
 vanillyl alcohol
 vanillyl butyl ether
 vanillyl ethyl ether
 vanillyl isobutyrate
 vanillylidene acetone
 veratraldehyde
 verymoss
 vetiver oil
 vetiveryl acetate
 violet leaf absolute
 violet methyl carbonate
 watermelon ketone
 woody amylene
 woody epoxide
 zingerone
(odor and/or flavor) used in :
 a suma
 abronia
 acacia
 acorn
 aimant
 allspice
 almond bitter almond
 almond blossom
 amber
 ambrene
 amour-amour
 angel
 apple
 apple blossom
 apple green apple
 apres l'ondee
 apricot
 arrack
 asafoetida
 asparagus
 azalea
 baby powder
 balsam
 banana
 barley
 bay rum
 bayberry
 bean locust bean
 benzoin
 benzoinett
 bergamot
 blackberry
 bluebell
 blueberry
 bois des lles
 bouquet
 brandy
 bread baked bread
 broom genet genista
 bubblegum
 butter
 butter rum
 butterscotch
 cabreuva
 cake
 candy
 candy cotton candy
 cappuccino
 caramel
 carnation dianthus oeillet
 cassia
 cassia blossom
 cassie acacia farnesiana
 castoreum
 cedar
 cedarwood
 chanel #5
 cherry
 cherry blossom
 cherry brandy
 chocolate cocoa
 christmas blends
 cinnamon
 cinq fleurs forvil
 citronella
 civet
 clove
 clove blossom
 coconut
 coffee
 colonia
 cookie
 crabapple blossom
 cranberry
 cream
 cream ice cream
 cream soda
 currant
 custard
 date
 decumaria
 eggnog
 elder blossom
 elderberry
 emeraude
 fagonia
 fenugreek
 fern fougere
 fig
 fir balsam
 fixer
 floral
 florida soap
 flouve
 flouve blossom
 frangipanni plumeria
 fruit dried fruit
 gardenia
 gingerbread
 gooseberry
 graham cracker
 grape
 grenadine
 guaiacwood
 gurjun
 habuba
 hawthorn
 hay new mown hay foin coupe
 heliotrope
 herbal
 hibiscus
 hollyberry
 honeysuckle chevrefeuille
 horse guard's bouquet
 hugonia
 hyacinth jacinthe
 hydrangea
 incense
 jackfruit
 japan flowers
 jasmin
 jicky
 kewda
 l'ambre antique
 l'heure bleue
 l'origan
 labdanum
 leather
 licorice
 lilac lilas syringa
 lotus
 lou lou
 lychee soapberry
 malt
 mango blossom
 maple
 marigold tagete
 marshmallow
 meadow
 melon watermelon muskmelon cantaloupe
 milk malted milk
 millefleurs
 mint
 molasses
 monimia
 moss
 mulberry
 musk
 my sin
 myrrh
 myrtle
 narcissus narcisse
 nut
 nut walnut
 oakmoss mousse de chene
 opoponax
 orange blossom fleur d'oranger
 orchid
 oriental
 oscar de larenta
 papaya
 passion blossom
 passion fruit
 patchouli
 peach
 peach blossom
 pear
 pear blossom
 peru balsam
 petunia
 pina colada
 pineapple
 plum
 plum blossom
 plum greengage plum
 plum mirabille blossom
 popcorn
 poppy red poppy
 powder
 praline
 presence
 prune
 pumpkin
 rain
 raisin
 raspberry
 raspberry black raspberry
 redwood
 rootbeer
 rose dog rose
 rose moss rose
 rose white rose
 rum
 rum butter rum
 sandalwood
 sarsaparilla
 sassafras
 shalimar
 spice
 starfruit
 stock evening scented stock
 straw
 strawberry
 sweet pea pois de senteur
 tabu
 tea
 tobacco tabac tabaco
 toffee
 tolu balsam
 tonka
 tuberose tubereuse
 tutti frutti
 vanderbilt
 vanilla
 violet
 vol de nuit
 wallflower giroflee
 wistaria wisteria glycine
 woodruff asperula
 woody
 wormseed chenopodium
 zibeline
natural occurrence in :
beech bark
beet sugar
benzoin gum
data pagecabreuva oil @ 0.24-0.30%
citronella oil java
clove bud oil
data pageclove bud oil @ 0.92%
data pageclove stem oil india @ 0.73%
coffee
cork
cymbopogon nardus rendl.
eugenia caryophyllata t.
gymnadenia albida r.
data pagejasmin absolute china @ 0.13%
nigritella suavelens
nutmeg
oakmoss
data pageosmanthus absolute @ 0.08%
peru balsam
potato peel
rum
strawberry
styrax
tea yerba-mate
data pagethyme oil spain @ 5.48%
tolu balsam
vanilla
vanilla planifolia
vanilla pompona
vanilla tahitensis
data pageviolet flower absolute @ %
whiskey



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