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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

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 (chromen-2-one) · read 2026-09-30

confidence A

CAS
91-64-5
documented

91-64-5

PUBCHEM-323 · PubChem Compound Summary for CID 323, Coumarin (chromen-2-one) · 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 (chromen-2-one) · read 2026-09-30

confidence A

Formula
C9H6O2
documented

PUBCHEM-323 · PubChem Compound Summary for CID 323, Coumarin (chromen-2-one) · read 2026-09-30

confidence A

Molecular weight
146.14
documented

PUBCHEM-323 · PubChem Compound Summary for CID 323, Coumarin (chromen-2-one) · 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 (chromen-2-one) · 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 (chromen-2-one) · read 2026-09-30

confidence A

InChIKey
ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
documented

PUBCHEM-323 · PubChem Compound Summary for CID 323, Coumarin (chromen-2-one) · read 2026-09-30

confidence A

Odour threshold
withheld: not on record
withheld

no odour-threshold source in the repository

Descriptors
sweet, slightly spicy, hay-like
documented

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

KLE-1 · Kleoff M, Kiler P, Heretsch P · read 2026-09-30

confidence A

Volatility class
not on record
not on record

no volatility class on record for coumarin (the simulator’s data 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 (chromen-2-one) · read 2026-09-30

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

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 · PubChem data are provided by NCBI (public-domain data; cite PubChem); the computed conformer is PubChem-generated. The raw responses are filed as fetched (the house’s records; the house’s review log the house’s records).
    2. IFRA-023 · International Fragrance Association (IFRA). IFRA Standard: Coumarin, Amendment 49 (2020). Geneva: IFRA Standards Library. d3t14p1xronwr0.cloudfront.net/docs/standards/IFR… · read 2026-09-30 · published by IFRA; no reuse licence stated; quoted
    3. EU-2009-1223 · Regulation (EC) No 1223/2009 of the European Parliament and of the Council of 30 November 2009 on cosmetic products (recast). OJ L 342, 22.12.2009, p. 59. eur-lex.europa.eu/eli/reg/2009/1223/oj · read 2026-09-30 · EU legislation; reuse terms not re-read (UNVERIFIED); quoted
    4. 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

    These records are published under CC BY 4.0.

    this record as data: /data/molecule/coumarin.json · version 1 · updated 2026-09-30 · confidence A