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Vanillin

Vanillin, C8H8O3, is the molecule the house’s vanilla essay names as the pod’s principal one. Its identity is PubChem’s.

In the green pod it is bound as glucovanillin; curing frees it, and on the best cured pods it can crystallise as fine white needles. No share is given: no measured figure is filed.

Read the essay · The card · The material · Turn it in 3D

The record

Each field carries its evidence: open a chip for the source, the quoted words and the confidence. A field with nothing behind it says so and stays empty.

Name
vanillin
documented

Vanillin

PUBCHEM-1183 · PubChem Compound Summary for CID 1183, Vanillin (4-hydroxy-3-methoxybenzaldehyde) · read 2026-09-27

confidence A

CAS
121-33-5
documented

verified: the CAS is among the CID's PubChem synonyms

PUBCHEM-1183 · PubChem Compound Summary for CID 1183, Vanillin (4-hydroxy-3-methoxybenzaldehyde) · read 2026-09-27

confidence A

PubChem CID
1183
documented

PUBCHEM-1183 · PubChem Compound Summary for CID 1183, Vanillin (4-hydroxy-3-methoxybenzaldehyde) · read 2026-09-27

confidence A

Formula
C8H8O3
documented

PUBCHEM-1183 · PubChem Compound Summary for CID 1183, Vanillin (4-hydroxy-3-methoxybenzaldehyde) · read 2026-09-27

confidence A

Molecular weight
152.15
documented

PUBCHEM-1183 · PubChem Compound Summary for CID 1183, Vanillin (4-hydroxy-3-methoxybenzaldehyde) · read 2026-09-27

g/mol, as PubChem states it

confidence A

IUPAC name
4-hydroxy-3-methoxybenzaldehyde
documented

PUBCHEM-1183 · PubChem Compound Summary for CID 1183, Vanillin (4-hydroxy-3-methoxybenzaldehyde) · read 2026-09-27

confidence A

SMILES
COC1=C(C=CC(=C1)C=O)O
documented

PUBCHEM-1183 · PubChem Compound Summary for CID 1183, Vanillin (4-hydroxy-3-methoxybenzaldehyde) · read 2026-09-27

confidence A

InChIKey
MWOOGOJBHIARFG-UHFFFAOYSA-N
documented

PUBCHEM-1183 · PubChem Compound Summary for CID 1183, Vanillin (4-hydroxy-3-methoxybenzaldehyde) · read 2026-09-27

confidence A

Odour threshold
53 µg/kg in water (orthonasal odour detection threshold in water, determined by the method of Czerny et al. 2008, Eur Food Res Technol 228:265–273, as the database states)
measured

OT-1 · Kreissl J, Mall V, Steinhaus P, Steinhaus M · read 2026-09-30

the retronasal threshold in the same study is 210 µg/kg (OT-1)

confidence A

Descriptors
vanilla-like, sweet
documented

4-hydroxy-3-methoxybenzaldehyde (vanillin) | CAS 121-33-5 | Odor quality: vanilla-like, sweet

OT-1 · Kreissl J, Mall V, Steinhaus P, Steinhaus M · read 2026-09-30

confidence A

Volatility class
base
modeled

modeled

the house’s review’s act_rule from the simulator’s own half-life, a site constant: the simulator’s data says its values “were chosen for the simulator and are not measurements”; the simulator assigns no act

confidence C

Regulation
documented

EU-2023-1545: each record above quotes its entry.

3D structure
PubChem computed 3D conformer · 19 atoms, 19 bonds
modeled

PUBCHEM-1183 · PubChem Compound Summary for CID 1183, Vanillin (4-hydroxy-3-methoxybenzaldehyde) · read 2026-09-27

PubChem’s computed 3D conformer: a model, drawn schematically, not an experimental structure (the site’s molecule data note)

confidence A

Occurs in
  • cured vanilla pods
    documented · no share

    the crystals (givre) on exceptional cured pods

    confidence B

In teaching accords
In history

Sources

  1. PUBCHEM-1183 · PubChem Compound Summary for CID 1183, Vanillin (4-hydroxy-3-methoxybenzaldehyde). National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine; live database, read 2026-09-27 through the PUG REST endpoints listed in the site’s molecule data. pubchem.ncbi.nlm.nih.gov/compound/1183 · read 2026-09-27 · PubChem data are provided by NCBI; the computed conformer is PubChem-generated. No file from PubChem is stored besides the derived JSON (PUBCHEM-108242, "Licence / reuse", written for CID 108242 and read as PubChem’s general terms; the terms for this CID were not re-read).
  2. GC-5 · Cuan-Escobar TA, Cuellar-Sánchez A, Gómez-Velázquez HDJ, Monribot-Villanueva JL, Guerrero-Analco JA, Gutiérrez-Díaz I, Luna-Vital DA. Effect of different killing methods during curing on the phytochemical and bacterial composition of Vanilla planifolia using multi-omic approaches. Food Chemistry: X 2025;26:102269. DOI 10.1016/j.fochx.2025.102269. PMID 40034982. PMCID PMC11872573. doi.org/10.1016/j.fochx.2025.102269 · read 2026-09-30 · CC BY 4.0 (open access, as the article states); short quotes only, the text is not filed
  3. GC-6 · de Oliveira RT, da Silva Oliveira JP, Macedo AF. Vanilla beyond Vanilla planifolia and Vanilla × tahitensis: Taxonomy and Historical Notes, Reproductive Biology, and Metabolites. Plants (Basel) 2022;11(23):3311. DOI 10.3390/plants11233311. PMID 36501350. PMCID PMC9739750. doi.org/10.3390/plants11233311 · read 2026-09-30 · CC BY (open access, MDPI, as the article states); short quotes only, the text is not filed
  4. OT-1 · Kreissl J, Mall V, Steinhaus P, Steinhaus M. Leibniz-LSB@TUM Odorant Database, Version 1.2. Leibniz Institute for Food Systems Biology at the Technical University of Munich: Freising, Germany, 2022. www.leibniz-lsb.de/en/databases/leibniz-lsbtum-o… · read 2026-09-30 · free of charge; scientific use encouraged with full acknowledgement; systematic download or reproduction needs written permission (its copyright page, read 2026-09-30): single values are cited with their references, the responses are not filed
  5. EU-2023-1545 · Commission Regulation (EU) 2023/1545 of 26 July 2023 (labelling of fragrance allergens). OJ L 188, 27.7.2023, p. 1. eur-lex.europa.eu/eli/reg/2023/1545/oj · read 2026-09-30 · EU legislation; reuse terms not re-read (UNVERIFIED); quoted

These records are published under CC BY 4.0.

this record as data: /data/molecule/vanillin.json · version 3 · updated 2026-09-30 · confidence A