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Station 4 of 13 · Molecule · the record

Isoeugenol

Isoeugenol, a close relative of eugenol, is restricted by IFRA and named on EU labels.

No odour description is filed for it here. Its identity is PubChem’s.

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
Isoeugenol
documented

Isoeugenol

PUBCHEM-853433 · PubChem Compound Summary for CID 853433, Isoeugenol (2-methoxy-4-[(E)-prop-1-enyl]phenol) · read 2026-09-30

confidence A

CAS
97-54-1
documented

97-54-1

PUBCHEM-853433 · PubChem Compound Summary for CID 853433, Isoeugenol (2-methoxy-4-[(E)-prop-1-enyl]phenol) · read 2026-09-30

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

confidence A

PubChem CID
853433
documented

PUBCHEM-853433 · PubChem Compound Summary for CID 853433, Isoeugenol (2-methoxy-4-[(E)-prop-1-enyl]phenol) · read 2026-09-30

confidence A

Formula
C10H12O2
documented

PUBCHEM-853433 · PubChem Compound Summary for CID 853433, Isoeugenol (2-methoxy-4-[(E)-prop-1-enyl]phenol) · read 2026-09-30

confidence A

Molecular weight
164.2
documented

PUBCHEM-853433 · PubChem Compound Summary for CID 853433, Isoeugenol (2-methoxy-4-[(E)-prop-1-enyl]phenol) · read 2026-09-30

g/mol, as PubChem states it

confidence A

IUPAC name
2-methoxy-4-[(E)-prop-1-enyl]phenol
documented

PUBCHEM-853433 · PubChem Compound Summary for CID 853433, Isoeugenol (2-methoxy-4-[(E)-prop-1-enyl]phenol) · read 2026-09-30

confidence A

SMILES
C/C=C/C1=CC(=C(C=C1)O)OC
documented

PUBCHEM-853433 · PubChem Compound Summary for CID 853433, Isoeugenol (2-methoxy-4-[(E)-prop-1-enyl]phenol) · read 2026-09-30

confidence A

InChIKey
BJIOGJUNALELMI-ONEGZZNKSA-N
documented

PUBCHEM-853433 · PubChem Compound Summary for CID 853433, Isoeugenol (2-methoxy-4-[(E)-prop-1-enyl]phenol) · read 2026-09-30

confidence A

Odour threshold
withheld: not on record
withheld

no odour-threshold source in the repository

Descriptors
not on record
not on record

no descriptor on record: no house wording on a data file, no descriptor source filed

Volatility class
not on record
not on record

no volatility class on record for isoeugenol (the simulator’s data has no entry)

Regulation
documented

IFRA-048, EU-2009-1223: each record above quotes its entry.

3D structure
PubChem computed 3D conformer · 24 atoms, 24 bonds
modeled

PUBCHEM-853433 · PubChem Compound Summary for CID 853433, Isoeugenol (2-methoxy-4-[(E)-prop-1-enyl]phenol) · 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

    Sources

    1. PUBCHEM-853433 · PubChem Compound Summary for CID 853433, Isoeugenol (2-methoxy-4-[(E)-prop-1-enyl]phenol). 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/97-54-1/cids/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/853433/property/MolecularFormula,MolecularWeight,IUPACName,Title,SMILES,InChIKey/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/853433/synonyms/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/853433/SDF?record_type=3d. pubchem.ncbi.nlm.nih.gov/compound/853433 · 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-048 · International Fragrance Association (IFRA). IFRA Standard: Isoeugenol, 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

    These records are published under CC BY 4.0.

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