Record Information
Version1.0
Creation date2018-05-02 13:01:58 UTC
Update date2018-05-04 14:07:57 UTC
FoodComEx IDPC001231
FoodDB RecordFDB000838
Chemical Information
NameVanillin
DescriptionConstituent of vanilla (Vanilla subspecies) and many other plants, e.g. Peru balsam, clove bud oil. Widely used flavouring agent especies in cocoa products. obtained from spent wood-pulp liquors. Vanillin is found in many foods, some of which are pomes, elderberry, common cabbage, and dock.
CAS Number121-33-5
Structure
Thumb
Synonyms
SynonymSource
2-Methoxy-4-formylphenolbiospider
3-Methoxy-4-hydroxybenzaldehydebiospider
4-Formyl-2-methoxyphenolbiospider
4-Hydroxy 3-methoxybenzaldehydeHMDB
4-Hydroxy-3-methoxy-benzaldehydebiospider
4-Hydroxy-3-methoxy-benzaldehyde-5-chlorovanillinHMDB
4-Hydroxy-3-methoxybenzaldehydeChEBI
4-Hydroxy-3-methoxybenzaldehyde (acd/name 4.0)HMDB
4-Hydroxy-5-methoxybenzaldehydebiospider
4-Hydroxy-m-anisaldehydebiospider
Benzaldehyde, 4-hydroxy-3-methoxy-biospider
FEMA 3107db_source
Lioxinbiospider
m-Anisaldehyde, 4-hydroxy-biospider
m-Methoxy-p-hydroxybenzaldehydebiospider
Methyl-protocatechualdehydeHMDB
Methylprotcatechuic aldehydeHMDB
Methylprotocatechuic aldehydebiospider
Oleo-resins vanillaHMDB
Oleo-resins vanilla-beanHMDB
Oleoresin vanillaHMDB
p-Hydroxy-m-methoxybenzaldehydebiospider
p-Vanillinbiospider
Protocatechualdehyde 3-methyl etherbiospider
VanilinHMDB
VanilineChEBI
VanillaHMDB
Vanilla oleoresinHMDB
Vanillaldehydedb_source
Vanillic aldehydebiospider
Vanillin (3-methoxy-4-hydroxy- benzaldehyde)HMDB
Vanillin (natural)HMDB
Vanillin (NF)HMDB
Vanillin sodium saltHMDB
Vanillin, USANdb_source
VanillineHMDB
ZimcoHMDB
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChI KeyMWOOGOJBHIARFG-UHFFFAOYSA-N
Isomeric SMILESCOC1=CC(C=O)=CC=C1O
Average Molecular Weight152.1473
Monoisotopic Molecular Weight152.047344122
Chemical Taxonomy
ClassificationNot classified
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP1.21HANSCH,C ET AL. (1995)
Experimental Water Solubility11 mg/mL at 25 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting PointMp 77-79° (dimorph.)DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 2 mg
Delivery Time2 weeks
Storage Formpowder
Storage Conditions-18°C
StabilityNot Available
Purityunknown
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Augustin ScalbertInternational Agency for Research on Cancer (IARC), Biomarkers Group, 150 cours Albert Thomas, Lyon, FR, 69372scalberta@iarc.fr
Commercial Vendors
AKSci G554
Glentham GP6341
MetaSci HMDB0012308
Sigma-Aldrich HMDB0012308
Toronto Research Chemicals V097500