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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.

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 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde model: hatched atoms joined by ruled bonds, the hydrogens left out.

molecule

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

A computed 3D conformer , modeled, not a photograph of a molecule. PubChem CID 6426722.

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 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde (CID 6426722, conformer 0062106200000001): the shape a computer model gives the molecule, not an experimental structure and not a picture of a real molecule. Ball and stick: 8 carbon, 1 chlorine, 3 oxygen; the 7 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): 19.9 cm tall, 27.9 cm across
Atoms
8 carbon, 1 chlorine, 3 oxygen · 12 bonds between them
Colours
carbon: ink sepia-2; chlorine: note-family green; 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 6426722 (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 30 KB · USDZ 66 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
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 · 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 · 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 · read 2026-09-30

confidence A

Formula
C8H7ClO3
documented

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

confidence A

Odour threshold
withheld: not on record
withheld

no odour-threshold source on record

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 house’s volatility table 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 · read 2026-09-30

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

confidence A

Wikidata
Q81985933
documented

P662 PubChem CID: 6426722

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

the item states PubChem CID 6426722 (P662) and the record’s InChIKey (P235); found by the statement search haswbstatement:P662=6426722

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 · public domain (US government work, NCBI/NLM); acknowledgement requested , cite PubChem
  2. 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 reuse policy (Commission Decision 2011/833/EU): reuse for commercial or non-commercial purposes, with acknowledgement of the source
  3. 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/chloroatranol.json · version 3 · updated 2026-10-01 · confidence A