Vanillin (C8H8O3)

Looking for routes to vanillin? vanillin presents a C8 framework, aromatic rings. Use the planner with prefilled SMILES, or copy COc1cc(C=O)ccc1O (CAS 121-33-5).

Target: Vanillin
CAS: 121-33-5
Formula: C8H8O3
Approx. MW: 152.15
SMILES: COc1cc(C=O)ccc1O
PubChem CID: 1183
Approx. carbons: C8

Vanillin structure

Properties

IUPAC name: 4-hydroxy-3-methoxybenzaldehyde
Common names: vanillin; 4-Hydroxy-3-methoxybenzaldehyde; 121-33-5; Vanillic aldehyde; Vanillaldehyde; p-Vanillin; Vanilline; Lioxin; 3-Methoxy-4-hydroxybenzaldehyde; 4-Hydroxy-3-methoxy-benzaldehyde
Molecular weight: 152.15
Exact mass: 152.05
InChIKey: MWOOGOJBHIARFG-UHFFFAOYSA-N
Melting point: 178 to 181 °F (NTP, 1992)
Boiling point: 545 °F at 760 mmHg (NTP, 1992)
Density: 1.056 at 68 °F (NTP, 1992) - Denser than water; will sink

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Vanillin 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Vanillin?

Vanillin has molecular formula C8H8O3. Molecular weight about 152.15 g·mol⁻¹.

What is the CAS number of Vanillin?

The CAS Registry Number for Vanillin is 121-33-5.

Run AI retrosynthesis for Vanillin Target catalog AI tools overview

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Related targets

Similar compounds

2-Acetylresorcinol Isovanillin Methyl 3-hydroxybenzoate (1-Bromoethyl)benzene (2-Chloroethoxy)benzene (2-Chloroethyl)benzene

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.