vanillin
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Notes :
Enhancers are veratrole, acetovanillin, isovanillin, homovanillin,dimothoxyacetophenone, or methyl zingerone.
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
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
cas number :121-33-5
(EINECS) number :204-465-2
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 : 152.1473200 (IUPAC)
formula :C8 H8 O3
BioActivity Analysis :79257
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2912.41.0000
fda reg :135.110
169.180
169.181
169.182
182.60
182.90
Suppliers :
Aceto :Vanillin
99% FCC
Advanced Biotech :VANILLIN 4 METHYL GUAIACOL
NATURAL
Advanced Biotech :vanillin EEC
99% min. natural
Odor:  Vanilla
Advanced Biotech :vanillin ex eugenol
98% min. natural
Odor:  Sweet, Vanilla
Advanced Biotech :vanillin ex ferulic acid
98% min. natural
Advanced Biotech :vanillin ex lignin
99% min. synthetic
Odor:  Vanilla
Advanced Biotech :vanillin ex turmeric
98% min. natural
Advanced Biotech :vanillin ex vanilla beans
99% min. natural
Odor:  Vanilla
Vanilla
Advanced Biotech :vanillin
99% min. natural
Odor:  Vanilla
Apple :Vanillin
Natural
Berje :Vanillin ex Eugenol
Berje :Vanillin ex Lignin
Berje :Vanillin
Cargill :V-FLAVOR (VANILLIN) EX-EUGENOL
natural, Kosher
Odor:  Sweet, Vanilla, Chocolate, Eugenol, Caramel
Citrus and Allied Essences :Vanillin
FCC
Odor:  pleasant aromatic, sweet creamy, vanilla
Fleurchem :vanillin-c
natural
Fleurchem :vanillin ex eugenol
Fleurchem :vanillin
Hofmen :Vanillin
99.5%, (naturals)
IFF :Natural Flavor
(99% Vanillin), natural, Kosher
John D. Walsh :Vanillin
Moellhausen :vanillin ex lignine
99.5% min. nature identical kosher
Odor:  strong, sweet, vanilla
Flavor:  cream, vanilla
Moellhausen :vanillin
99% min. nature identical kosher
Odor:  strong, sweet, vanilla
Flavor:  crema, vanilla
Moellhausen :vanillin
99% min. natural kosher
Odor:  strong, sweet, vanilla
Flavor:  crema, vanilla
Mooreganics :Vanillin (Ex-Clove)
Natural (Organic Compliant)
Odor:  CHARACTERISTIC VANILLA-LIKE
Penta :vanillin
Penta :vanillin
natural
Penta :vanillin
USP from eugenol
Polarome :VANILLIN EX EUGENOL
FCC NATURAL
Polarome :VANILLIN
FCC SYNTHETIC
Robertet :Vanilline
naturel
SAFC Global® :Vanillin
≥97%, FCC, Kosher, FG
Odor:  caramel; chocolate; sweet; vanilla
SAFC Global® :Vanillin
≥97%, natural, FCC, Kosher, FG
Odor:  caramel; chocolate; sweet; vanilla
Shanghai Green Leaf :Vanillin
Symrise :Vanillin
natural kosher
Flavor:  intensive sweet and very tenacious creamy vanilla
Ungerer :Vanillin
Vigon :Vanillin
Vigon :Vanillin
Natural
Odor:  Sweet dry vanilla chocolate
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
Luebke, William tgsc, (1981)
odor sample from :Berje Inc.
odor description:
Sweet, vanilla, vanillin, creamy and phenolic
Mosciano, Gerard P&F 21, No. 1, 33, (1996)
taste description:
at 10.00 ppm.  		Vanilla, vanillin, sweet, creamy, spicy, phenolic and milky
Mosciano, Gerard P&F 21, No. 1, 33, (1996)
substantivity :400  Hour(s)
properties :
appearence :white to off white crystalline powder
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
melting point : 81.00 to 84.00 °C. @ 760.00 mm Hg
boiling point : 285.00 to 286.00 °C. @ 760.00 mm Hg
boiling point : 170.00 to 171.00 °C. @ 15.00 mm Hg
vapor pressure :0.01000 mm/Hg @ 25.00 °C.
vapor density :5.3 ( Air = 1 )
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 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.
  R 22 - Harmful if swallowed.
R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
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) : 
  Gavage-Rat   [sex: M,F]  1580.00  mg/kg
(Taylor et al., 1964)

Intraperitoneal-Rat    1160.00  mg/kg
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 243, Pg. 609, 1956.

Gavage-Rabbit    2600.00  mg/kg
(Deichmann & Kitzmiller, 1940)

Gavage-Mouse   [sex: M]  1000.00  mg/kg
(Inouye et al., 1988)

Intraperitoneal-Mouse    475.00  mg/kg

Gavage-Guineapig   [sex: M,F]  1400.00  mg/kg
(Jenner et al., 1964)

Gavage-Rat   [sex: M,F]  1580.00  mg/kg
(Jenner et al., 1964)

Gavage-Rat   [sex: M,F]  3978.00  mg/kg
(Lheritier, 1992)

Gavage-Rat   [sex: M,F]  3925.00  mg/kg
(Lheritier, 1992)

Gavage-Rat   [sex: M]  3830.00  mg/kg
(Monsanto Co., 1955b)

Oral-Rat   [sex: M,F]  3300.00  mg/kg
(Monsanto Co., 1976)

Oral-Rat    4370.00  mg/kg
(Makaruk, 1980)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5010.00  mg/kg
National Technical Information Service. Vol. OTS0533712

Subcutaneous-Rat  1500.00  mg/kg

Skin-Rat  >2000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :47000.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :150000.0 (μg/capita/day)
 
recommendation for vanillin fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for vanillin flavor usage levels up to :
  40.0000 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...
msds :msds
EPI System :view
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
EPA GENetic TOXicology :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 
4-hydroxy-3-methoxybenzaldehyde
(EINECS) number :204-465-2
RTECS :YW5775000 for cas# 121-33-5
chemidplus :000121335
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :121-33-5
dtp/nci :15351
references :
 
4-hydroxy-3-methoxybenzaldehyde
fl. number :05.018
jecfa number :889
NIST Chemistry WebBook :1410779504
pubchem :151625
Flavornet :121-33-5
Cosmetics :
Cosmetic uses : masking agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
Household Products : Search
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
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
potential blenders :    note
 acetanisoleFL/FR
 acetoinFL/FR
 acetoin acetateFL/FR
 acetophenoneFL/FR
 acetovanilloneFL/FR
 acetyl butyrylFL/FR
2-acetyl furanFL/FR
 acetyl isobutyrylFL/FR
 acetyl isovalerylFL
 acetyl methyl anthranilateFL/FR
 acetyl nonyrylFL/FR
 acetyl propionylFL/FR
2-acetyl pyrazineFL/FR
2-acetyl-2-thiazolineFL
 allspice oilFL/FR
 allyl methyl trisulfideFL
 allyl nonanoateFL/FR
 amber formateFR
 ambrette seed oilFL/FR
isoamyl phenyl acetateFL/FR
6-amyl-alpha-pyroneFL/FR
(E)-anetholFL/FR
ortho-anisaldehydeFL/FR
para-anisaldehydeFL/FR
para-anisaldehyde / methyl anthranilate schiff's baseFR
 anise seed oilFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
para-anisyl formateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 beeswax absoluteFL/FR
 benzoinFL
 benzoin absolute siamFL/FR
 benzoin absolute sumatraFL/FR
 benzoin resinoidFL/FR
 benzoin resinoid siamFL/FR
 benzoin resinoid sumatraFL/FR
 benzophenoneFL/FR
1-benzoyl acetoneFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 benzylidene acetoneFL
 blood orange oilFL/FR
isobutyl benzoateFL/FR
isobutyl benzyl carbinolFL/FR
 butyl butyryl lactateFL/FR
isobutyl cinnamateFL/FR
 butyl lactateFL/FR
 butyl laevo-lactateFL/FR
 butyric acidFL
2-oxobutyric acidFL
gamma-butyrolactoneFL/FR
 caramel furanoneFL
laevo-carvoneFL/FR
 cassia bark oilFL/FR
 cedarwood oils 
 cedryl methyl etherFR
 cherry oxyacetateFL/FR
 cinnamyl alcoholFL/FR
(E)-cinnamyl alcoholFL/FR
 civet absoluteFL/FR
 clove bud oilFL/FR
 cocoa butenalFL/FR
 cocoa oleoresinFL
 cocoa pentenalFL/FR
 coconut decanoneFR
 coffee furanoneFL
 copaiba balsam oilFL/FR
 costus valerolactoneFR
 coumaneFL/FR
 coumarinFR
 creamy lactoneFL/FR
para-cresyl laurateFL/FR
 cyclohexadecanoneFR
 cyclohexyl acetic acidFL
 cyclohexyl ethyl alcoholFL/FR
 dairy lactoneFL/FR
alpha-damasconeFL/FR
beta-damasconeFL/FR
 davana oilFL/FR
delta-decalactoneFL/FR
gamma-decalactoneFL/FR
6-decenoic acidFL
 diacetylFL
 dianthus ethoneFR
 dihydroanetholFL/FR
1,2-dimethoxybenzeneFL/FR
 dimethyl alpha-iononeFR
 dimethyl anthranilateFL/FR
2,4-dimethyl benzaldehydeFL/FR
 divanillinFL
delta-2-dodecenolactoneFL/FR
alpha-ethoxy-ortho-cresolFL/FR
 ethyl cinnamateFL/FR
 ethyl maltolFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl palmitateFL/FR
 ethyl phenyl acetateFL/FR
 ethyl undecylenateFL/FR
 ethyl vanillateFL/FR
 ethyl vanillinFL/FR
 ethyl vanillin isobutyrateFL/FR
 ethyl vanillin propylene glycol acetalFL/FR
 ethylene brassylateFL/FR
isoeugenyl acetateFL/FR
 farnesyl acetoneFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 furfural acetoneFL
 geranyl phenyl acetateFL/FR
 glucoethyl vanillinFL
laevo-glutamineCS
 guaiacolFL/FR
 guaiacwood oilFL/FR
 guaiacyl acetateFL/FR
 gurjun balsam oilFR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl acetateFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl alcoholFL/FR
 heliotropyl diethyl acetalFR
gamma-heptalactoneFL/FR
 heptanal 2,3-butane diol acetalFL
(Z)-4-hepten-1-alFL/FR
(Z)-4-hepten-1-al diethyl acetalFL/FR
(Z)-4-hepten-1-olFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
 hyacinth etherFR
(E)-beta-iononeFL/FR
 ionones 
alpha-ironeFL/FR
 labdanum resinoidFR
 levulinic acidFL
 lilac acetaldehydeFL/FR
 maltolFL/FR
 massoia lactoneFL
 menthoxypropane diolFL/FR
 methionalFL
2'-methoxyacetophenoneFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
para-methoxycinnamaldehydeFL/FR
4-methoxysalicylaldehydeFL
 methyl (Z)-5-octenoateFL
 methyl 2-thiofuroateFL
 methyl alpha-iononeFL/FR
para-methyl anisoleFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
6-methyl coumarinFL
 methyl cyclopentenoloneFL/FR
 methyl dihydrojasmonateFL/FR
4-methyl guaiacolFL/FR
para-methyl hydratropaldehydeFL/FR
iso-alpha-methyl iononeFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionone gamma supremeFL/FR
 methyl ionones 
 methyl ionyl acetateFL/FR
 methyl isoeugenolFL/FR
 methyl laurateFL/FR
4-methyl octanoic acidFL
 methyl phenyl acetateFL/FR
 methyl vanillateFL/FR
 mint lactoneFL/FR
dextro,laevo-musconeFL/FR
normusconeFR
 musk amberolFR
 musk indaneFR
 musk tetralinFR
 musks 
beta-naphthyl ethyl etherFL/FR
 nerolidolFL/FR
delta-nonalactoneFL/FR
gamma-nonalactoneFL/FR
2-nonanolFL/FR
(Z)-6-nonen-1-alFL/FR
1-nonen-3-olFL/FR
2,4-octadien-1-olFL/FR
gamma-octalactoneFL/FR
3-octen-2-olFL/FR
 octyl 2-furoateFL
 octyl isobutyrateFL/FR
 orange oilFL/FR
 orris root resinoidFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
 peach pivalateFR
omega-pentadecalactoneFL/FR
 peony alcoholFR
 peru balsam oilFL/FR
 peru balsam resinoidFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl phenyl acetateFL/FR
 phenoxyethyl isobutyrateFL/FR
 phenyl acetic acidFL/FR
3-phenyl propyl alcoholFL/FR
 phthalideFL/FR
 powdery ketoneFL
 powdery notes 
 propenyl guaetholFL/FR
isopropyl phenyl acetateFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 rhodinyl phenyl acetateFL/FR
 sandal pentanolFR
 santallFR
(+)-alpha-santalyl acetateFL/FR
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
delta-tetradecalactoneFL/FR
 thioguaiacolFL
 timber propanolFR
 tobacco dodecaneFR
 tolualdehydes (mixed o/m/p)FL/FR
 tonka bean absoluteFR
2,3,5-trimethyl pyrazineFL
2,5,9-trimethyl-4,9-decadien-1-alFR
delta-undecalactoneFL/FR
gamma-undecalactoneFL/FR
 undecanoic acidFL/FR
 valeraldehydeFL/FR
 vanilla absoluteFL/FR
 vanilla carboxylateFL/FR
 vanilla cresolFR
 vanilla oleoresinFL/FR
 vanilla resinoidFL/FR
 vanillic acidFL/FR
 vanillin 1,2-butylene glycol acetal (erythro and threo)FL/FR
 vanillin menthoxypropane diol acetalFL/FR
 vanillin propylene glycol acetalFL/FR
 vanillyl acetateFL/FR
 vanillyl alcoholFL/FR
 vanillyl butyl etherFL/FR
 vanillyl ethyl etherFL/FR
 vanillyl isobutyrateFL/FR
 vanillylidene acetoneFL/FR
 veratraldehydeFL/FR
 verymossFR
 vetiver oilFL/FR
 vetiveryl acetateFL/FR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 watermelon ketoneFR
 woody amyleneFR
 woody epoxideFR
 zingeroneFL/FR
potential uses :
 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 :    note
 beech bark S
 beet sugar  
 benzoin gum  
data pagecabreuva oil @ 0.24-0.30% S
 citronella oil java S
 clove bud oil S
data pageclove bud oil @ 0.92% S
data pageclove stem oil india @ 0.73% S
 coffee  
 cork  
 cymbopogon nardus rendl. S
 eugenia caryophyllata t. S
 gymnadenia albida r. S
PbMdhoney buckwheat honey  
data pagejasmin absolute china @ 0.13% S
 nigritella suavelens S
 nutmeg S
 oakmoss S
data pageosmanthus absolute @ 0.08% S
 peru balsam S
 potato peel  
 rum  
 strawberry S
 styrax  
 tea yerba-mate  
data pagethyme oil spain @ 5.48% S
 tolu balsam S
 vanilla  
 vanilla planifolia S
 vanilla pompona S
 vanilla tahitensis S
data pageviolet flower absolute @ % S
 whiskey  


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