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3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde

Chloroatranol, the chlorinated sibling of atranol, is the other oak moss component behind the restriction of the extracts.

EU law prohibits it in cosmetic products. 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
3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde
documented

3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde

PUBCHEM-6426722 · PubChem Compound Summary for CID 6426722, 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde (3-c · read 2026-09-30

confidence A

CAS
57074-21-2
documented

57074-21-2

PUBCHEM-6426722 · PubChem Compound Summary for CID 6426722, 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde (3-c · read 2026-09-30

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

confidence A

PubChem CID
6426722
documented

PUBCHEM-6426722 · PubChem Compound Summary for CID 6426722, 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde (3-c · read 2026-09-30

confidence A

Formula
C8H7ClO3
documented

PUBCHEM-6426722 · PubChem Compound Summary for CID 6426722, 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde (3-c · read 2026-09-30

confidence A

Molecular weight
186.59
documented

PUBCHEM-6426722 · PubChem Compound Summary for CID 6426722, 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde (3-c · read 2026-09-30

g/mol, as PubChem states it

confidence A

IUPAC name
3-chloro-2,6-dihydroxy-4-methylbenzaldehyde
documented

PUBCHEM-6426722 · PubChem Compound Summary for CID 6426722, 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde (3-c · read 2026-09-30

confidence A

SMILES
CC1=CC(=C(C(=C1Cl)O)C=O)O
documented

PUBCHEM-6426722 · PubChem Compound Summary for CID 6426722, 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde (3-c · read 2026-09-30

confidence A

InChIKey
IOTAGSGSURFFDS-UHFFFAOYSA-N
documented

PUBCHEM-6426722 · PubChem Compound Summary for CID 6426722, 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde (3-c · 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 chloroatranol (the simulator’s data has no entry)

Regulation
documented

IFRA-067, EU-2017-1410: each record above quotes its entry.

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

PUBCHEM-6426722 · PubChem Compound Summary for CID 6426722, 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde (3-c · 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 history

Sources

  1. PUBCHEM-6426722 · PubChem Compound Summary for CID 6426722, 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde (3-chloro-2,6-dihydroxy-4-methylbenzaldehyde). 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/57074-21-2/cids/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/6426722/property/MolecularFormula,MolecularWeight,IUPACName,Title,SMILES,InChIKey/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/6426722/synonyms/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/6426722/SDF?record_type=3d. pubchem.ncbi.nlm.nih.gov/compound/6426722 · 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-067 · International Fragrance Association (IFRA). IFRA Standard: Oakmoss extracts, 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-2017-1410 · Commission Regulation (EU) 2017/1410 of 2 August 2017 amending Annexes II and III to Regulation (EC) No 1223/2009. OJ L 202, 3.8.2017, p. 1. eur-lex.europa.eu/eli/reg/2017/1410/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/chloroatranol.json · version 1 · updated 2026-09-30 · confidence A