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Vanillin

CAT: 0013-GTR19168144-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19168144-01Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Vanillin is a natural compound used in flavoring and fragrance research. It acts as a non-competitive inhibitor of cellulase (IC50 ~30 g/L) and has demonstrated protective effects against UVB-induced damage in keratinocyte studies by modulating p53 pathways. It also exhibits inhibitory properties on yeast growth and fermentation in microbiological research.
CAS Number
121-33-5
Product Name Alternative
M-Methoxy-p-hydroxybenzaldehyde, FEMA 3107, FEMA3107, FEMA-3107, Endogenous Metabolite, EndogenousMetabolite, p-Hydroxy-m-methoxybenzaldehyde, p-Vanillin, Vanillin
Field of Research
Metabolism Research
Purity
99.35% (May vary between batches)
Solubility
Ethanol:28 mg/mL (184.03 mM) ; DMSO:240 mg/mL (1577.39 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (32.86 mM)
Smiles
COC1=CC (C=O) =CC=C1O
Molecular Formula
C8H8O3
Molecular Weight
152.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Vanillin

Vanillin is a member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively. It has a role as an antioxidant, a flavouring agent, an anticonvulsant, an anti-inflammatory agent and a plant metabolite. It is a member of benzaldehydes, a monomethoxybenzene and a member of phenols.

CAS Number121-33-5
PubChem CID1183
IUPAC Name4-hydroxy-3-methoxybenzaldehyde
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP1.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity135
SMILES
COC1=C(C=CC(=C1)C=O)O
InChI
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIKey
MWOOGOJBHIARFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vanillin
CAS: 121-33-5
CID: 1183
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass152.047344113
Monoisotopic Mass152.047344113
Topological Polar Surface Area46.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity135
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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