Citronellol

The card · The material

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.

molecule

The citronellol molecule

A computed 3D conformer , modeled, not a photograph of a molecule. PubChem CID 8842.

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 citronellol (CID 8842, conformer 0000228A00000001): the shape a computer model gives the molecule, not an experimental structure and not a picture of a real molecule. Ball and stick: 10 carbon, 1 oxygen; the 20 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): 16.7 cm tall, 33.3 cm across

Atoms

10 carbon, 1 oxygen · 10 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 8842 (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 21 KB · USDZ 46 KB · the drawing (SVG) 4 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

citronellol

documented

Citronellol

PUBCHEM-8842 · PubChem Compound Summary for CID 8842, Citronellol · read 2026-09-27

confidence A

CAS

106-22-9

documented

verified: the CAS is among the CID's PubChem synonyms

PUBCHEM-8842 · PubChem Compound Summary for CID 8842, Citronellol · read 2026-09-27

confidence A

PubChem CID

8842

documented

PUBCHEM-8842 · PubChem Compound Summary for CID 8842, Citronellol · read 2026-09-27

confidence A

Formula

C10H20O

documented

PUBCHEM-8842 · PubChem Compound Summary for CID 8842, Citronellol · read 2026-09-27

confidence A

Molecular weight

156.26

documented

PUBCHEM-8842 · PubChem Compound Summary for CID 8842, Citronellol · read 2026-09-27

g/mol, as PubChem states it

confidence A

IUPAC name

3,7-dimethyloct-6-en-1-ol

documented

PUBCHEM-8842 · PubChem Compound Summary for CID 8842, Citronellol · read 2026-09-27

confidence A

SMILES

CC(CCC=C(C)C)CCO

documented

PUBCHEM-8842 · PubChem Compound Summary for CID 8842, Citronellol · read 2026-09-27

confidence A

InChIKey

QMVPMAAFGQKVCJ-UHFFFAOYSA-N

documented

PUBCHEM-8842 · PubChem Compound Summary for CID 8842, Citronellol · read 2026-09-27

confidence A

Odour threshold

withheld: not on record

withheld

no single value: the record is the unspecified compound (CAS 106-22-9) and the filed measurements are per enantiomer, (R) 10 µg/kg and (S) 4.9 µg/kg in water (OT-1, Schaller and Schieberle 2020)

Descriptors

soapy, rose-like

documented

β-citronellol | CAS 106-22-9, 1117-61-9, 7540-51-4 | Odor quality: soapy, rose-like

OT-1 · Kreissl et al. (2022). Leibniz-LSB@TUM Odorant Database, Version 1.2 · read 2026-09-30

confidence A

Volatility class

not on record

not on record

the house’s volatility table has no entry for citronellol

Regulation

• Regulation (EC) No 1223/2009 on cosmetic products
• Regulation (EU) 2023/1545 (labelling of fragrance allergens)

documented

EU-2009-1223, EU-2023-1545: each record above quotes its entry.

3D structure

PubChem computed 3D conformer · 31 atoms, 30 bonds

modeled

PUBCHEM-8842 · PubChem Compound Summary for CID 8842, Citronellol · read 2026-09-27

PubChem’s computed 3D conformer: a model, drawn schematically, not an experimental structure (the house’s molecules data note)

confidence A

Wikidata

Q27122080

documented

P662 PubChem CID: 8842

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

the item states PubChem CID 8842 (P662) and the record’s InChIKey (P235); found by the statement search haswbstatement:P662=8842

confidence A

Odeuropa

EOKG concept

documented

{"concept":"http://data.odeuropa.eu/vocabulary/flavornet/odorants/98","relation":"owl:sameAs","via":"Q27122080","label":"citronellol","scheme":"http://data.odeuropa.eu/vocabulary/flavornet/odorants/"}

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

the EOKG concept “citronellol” states owl:sameAs Q27122080 and the record’s CAS (wdt:P231)

confidence A

Occurs in

• rose otto (rose oil; Bulgarsko rozovo maslo, PGI)
  measured · no share

  the range is one study’s and is not shown as a share

  confidence A

• rose absolute
  measured · no share

  nothing on record supports a value; none is invented

  confidence A

In teaching accords

• A rose, from four molecules

Sources

1. PUBCHEM-8842 · PubChem Compound Summary for CID 8842, Citronellol (3,7-dimethyloct-6-en-1-ol). National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine; live database, read 2026-09-27 through the PUG REST endpoints listed in the house’s molecules data. pubchem.ncbi.nlm.nih.gov/compound/8842 · read 2026-09-27 · public domain (US government work, NCBI/NLM); acknowledgement requested , cite PubChem
2. OT-1 · Kreissl J, Mall V, Steinhaus P, Steinhaus M. Leibniz-LSB@TUM Odorant Database, Version 1.2. Leibniz Institute for Food Systems Biology at the Technical University of Munich: Freising, Germany, 2022. www.leibniz-lsb.de/en/databases/leibniz-lsbtum-o… · read 2026-09-30 · free of charge; scientific use encouraged with full acknowledgement; systematic download or reproduction needs written permission (quoted, not reproduced)
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
4. 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

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

this record as data: /data/molecule/citronellol.json · version 6 · updated 2026-10-01 · confidence A