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Station 4 of 13 · Molecule · the record

Coumarin

Coumarin smells sweet and hay-like, a little spicy. Its identity is PubChem’s; the words are a review’s.

A synthesis of coumarin was reported by Perkin in 1868, and coumarin is the named material of Fougère Royale, the perfume that gave the fougère family its name. IFRA restricts it and EU law requires it to be named on a label above a stated concentration.

Turn it in 3D

In your room

A model you can turn here or place in your room with a phone. Nothing is fetched until you ask; nothing is stored or sent. Everything you can place in a room.

An engraved drawing of the Coumarin model: hatched atoms joined by ruled bonds, the hydrogens left out.

molecule

The Coumarin molecule

A computed 3D conformer , modeled, not a photograph of a molecule. PubChem CID 323.

To place it in your room, open this page on an iPhone or iPad (AR Quick Look) or an Android phone (Google Scene Viewer). The files below open in any 3D viewer.

PubChem’s computed 3D conformer of Coumarin (CID 323, conformer 0000014300000001): the shape a computer model gives the molecule, not an experimental structure and not a picture of a real molecule. Ball and stick: 9 carbon, 2 oxygen; the 6 hydrogen atoms are left out for clarity. The balls are drawn smaller than the atoms’ real reach; a double bond is two sticks, side by side.

In the room
scaled so that one ångström is 4 cm (about 400 million times life size): 15.3 cm tall, 27.3 cm across
Atoms
9 carbon, 2 oxygen · 12 bonds between them
Colours
carbon: ink sepia-2; oxygen: rose highlight; bonds: brass. Colour is a convention here and never carries the meaning alone: the letters on the drawing and this list say which atom is which.
Source
PubChem, CID 323 (National Center for Biotechnology Information), its computed 3D conformer as filed on this record
Licence
PubChem’s data are public (NCBI); the model and its drawing were made for this site from those coordinates

The files GLB 22 KB · USDZ 49 KB · the drawing (SVG) 5 KB

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
Coumarin
documented

Coumarin

PUBCHEM-323 · PubChem Compound Summary for CID 323, Coumarin · read 2026-09-30

confidence A

CAS
91-64-5
documented

91-64-5

PUBCHEM-323 · PubChem Compound Summary for CID 323, Coumarin · read 2026-09-30

among the CID’s PubChem synonyms, and PubChem resolves it back to this CID

confidence A

PubChem CID
323
documented

PUBCHEM-323 · PubChem Compound Summary for CID 323, Coumarin · read 2026-09-30

confidence A

Formula
C9H6O2
documented

PUBCHEM-323 · PubChem Compound Summary for CID 323, Coumarin · read 2026-09-30

confidence A

Molecular weight
146.14
documented

PUBCHEM-323 · PubChem Compound Summary for CID 323, Coumarin · read 2026-09-30

g/mol, as PubChem states it

confidence A

IUPAC name
chromen-2-one
documented

PUBCHEM-323 · PubChem Compound Summary for CID 323, Coumarin · read 2026-09-30

confidence A

SMILES
C1=CC=C2C(=C1)C=CC(=O)O2
documented

PUBCHEM-323 · PubChem Compound Summary for CID 323, Coumarin · read 2026-09-30

confidence A

InChIKey
ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
documented

PUBCHEM-323 · PubChem Compound Summary for CID 323, Coumarin · read 2026-09-30

confidence A

Odour threshold
withheld: not on record
withheld

no odour-threshold source on record

Descriptors
sweet, slightly spicy, hay-like
documented

Coumarin (46) has a sweet, slightly spicy, and hay-like scent

KLE-1 · Kleoff et al. (2022). Synthesis of odorants in flow and their applications in perfumery · read 2026-09-30

confidence A

Volatility class
not on record
not on record

no volatility class on record for coumarin (the house’s volatility table has no entry)

Regulation
documented

IFRA-023, EU-2009-1223: each record above quotes its entry.

3D structure
PubChem computed 3D conformer · 17 atoms, 18 bonds
modeled

PUBCHEM-323 · PubChem Compound Summary for CID 323, Coumarin · read 2026-09-30

PubChem’s computed 3D conformer (the 3D SDF record): a model, drawn schematically, not an experimental structure

confidence A

Wikidata
Q111812
documented

P662 PubChem CID: 323

WD-1 · Wikidata (Wikimedia Foundation) · read 2026-09-30

the item states PubChem CID 323 (P662) and the record’s InChIKey (P235); found by the statement search haswbstatement:P662=323

confidence A

Odeuropa
EOKG concept
documented

{"concept":"http://data.odeuropa.eu/vocabulary/olfactory-objects/208","relation":"owl:sameAs","via":"Q111812","label":"Coumarin","scheme":"http://data.odeuropa.eu/vocabulary/olfactory-objects"}

ODEUROPA-1 · Lisena, P., Ehrhart, T., Troncy, R · read 2026-09-30

the EOKG concept “Coumarin” states owl:sameAs Q111812 and the record’s CAS (wdt:P231); other linked concepts: http://data.odeuropa.eu/vocabulary/dravnieks/odorants/34, http://data.odeuropa.eu/vocabulary/flavornet/odorants/41

confidence A

Occurs in
    In teaching accords
    In history

    Sources

    1. PUBCHEM-323 · PubChem Compound Summary for CID 323, Coumarin (chromen-2-one). National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine; live database, read 2026-09-30 through the PUG REST endpoints (no account): https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/coumarin/cids/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/323/property/MolecularFormula,MolecularWeight,IUPACName,Title,SMILES,InChIKey/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/323/synonyms/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/323/SDF?record_type=3d. pubchem.ncbi.nlm.nih.gov/compound/323 · read 2026-09-30 · public domain (US government work, NCBI/NLM); acknowledgement requested , cite PubChem
    2. KLE-1 · Kleoff M, Kiler P, Heretsch P. Synthesis of odorants in flow and their applications in perfumery. Beilstein J Org Chem. 2022;18:754–768. doi.org/10.3762/bjoc.18.76 · read 2026-09-30 · CC BY 4.0
    3. ODEUROPA-1 · Lisena, P., Ehrhart, T., Troncy, R. European Olfactory Knowledge Graph (EOKG), Odeuropa project. Zenodo, 2024. doi:10.5281/zenodo.10709703. SPARQL endpoint https://data.odeuropa.eu/repositories/odeuropa, read 2026-09-30. doi.org/10.5281/zenodo.10709703 · read 2026-09-30 · CC BY 4.0
    4. WD-1 · Wikidata (Wikimedia Foundation): the items named on each record (each statement read with its references), read 2026-09-30. www.wikidata.org · read 2026-09-30 · CC0 1.0

    Our text and structure are CC BY 4.0; quoted source text stays under its owners’ terms.

    this record as data: /data/molecule/coumarin.json · version 3 · updated 2026-10-01 · confidence A