Citronellol

The card · The material

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 (3,7-dimethyloct-6-en-1-ol) · 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 (3,7-dimethyloct-6-en-1-ol) · read 2026-09-27

confidence A

PubChem CID

8842

documented

PUBCHEM-8842 · PubChem Compound Summary for CID 8842, Citronellol (3,7-dimethyloct-6-en-1-ol) · read 2026-09-27

confidence A

Formula

C10H20O

documented

PUBCHEM-8842 · PubChem Compound Summary for CID 8842, Citronellol (3,7-dimethyloct-6-en-1-ol) · read 2026-09-27

confidence A

Molecular weight

156.26

documented

PUBCHEM-8842 · PubChem Compound Summary for CID 8842, Citronellol (3,7-dimethyloct-6-en-1-ol) · 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 (3,7-dimethyloct-6-en-1-ol) · read 2026-09-27

confidence A

SMILES

CC(CCC=C(C)C)CCO

documented

PUBCHEM-8842 · PubChem Compound Summary for CID 8842, Citronellol (3,7-dimethyloct-6-en-1-ol) · read 2026-09-27

confidence A

InChIKey

QMVPMAAFGQKVCJ-UHFFFAOYSA-N

documented

PUBCHEM-8842 · PubChem Compound Summary for CID 8842, Citronellol (3,7-dimethyloct-6-en-1-ol) · 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); (+)-citronellol 40 ppb in water in a compilation that states no method (OT-4)

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 J, Mall V, Steinhaus P, Steinhaus M · read 2026-09-30

confidence A

Volatility class

not on record

not on record

the simulator’s data 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 (3,7-dimethyloct-6-en-1-ol) · read 2026-09-27

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

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 in the repository 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 site’s molecule data. pubchem.ncbi.nlm.nih.gov/compound/8842 · read 2026-09-27 · PubChem data are provided by NCBI; the computed conformer is PubChem-generated. No file from PubChem is stored besides the derived JSON (PUBCHEM-108242, "Licence / reuse", written for CID 108242 and read as PubChem’s general terms; the terms for this CID were not re-read).
2. S6 · Kumar A, Gautam RD, Singh S, Chauhan R, Kumar M, Kumar D, Kumar A, Singh S. Phenotyping floral traits and essential oil profiling revealed considerable variations in clonal selections of damask rose (Rosa damascena Mill.). Scientific Reports 2023;13:8101. DOI 10.1038/s41598-023-34972-5. PMID 37208367. PMCID PMC10198992. doi.org/10.1038/s41598-023-34972-5 · read 2026-09-27 · CC BY (Europe PMC)
3. GC-1 · Çevikbaş H, Ulusoy S, Kaya Kinaytürk N. Exploring rose absolute and phenylethyl alcohol as novel quorum sensing inhibitors in Pseudomonas aeruginosa and Chromobacterium violaceum. Scientific Reports 2024;14:15666. DOI 10.1038/s41598-024-66888-z. PMID 38977845. PMCID PMC11231148. doi.org/10.1038/s41598-024-66888-z · read 2026-09-27 · CC BY (Europe PMC)
4. S4 · Xiao Z, Li J, Niu Y, Liu Q, Liu J. Verification of key odorants in rose oil by gas chromatography-olfactometry/aroma extract dilution analysis, odour activity value and aroma recombination. Natural Product Research 2017;31(19):2294–2302. DOI 10.1080/14786419.2017.1303693. PMID 28347181. doi.org/10.1080/14786419.2017.1303693 · read 2026-09-27
5. S11 · Zhao CY, Xue J, Cai XD, Guo J, Li B, Wu S. Assessment of the key aroma compounds in rose-based products. Journal of Food and Drug Analysis 2016;24:471–476. DOI 10.1016/j.jfda.2016.02.013. PMID 28911551. PMCID PMC9336667. doi.org/10.1016/j.jfda.2016.02.013 · read 2026-09-27 · CC BY-NC-ND (Europe PMC)
6. GC-2 · Ulusoy S, Boşgelmez-Tınaz G, Seçilmiş-Canbay H. Tocopherol, carotene, phenolic contents and antibacterial properties of rose essential oil, hydrosol and absolute. Current Microbiology 2009;59(5):554–558. DOI 10.1007/s00284-009-9475-y. PMID 19688375. doi.org/10.1007/s00284-009-9475-y · read 2026-09-27
7. 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 (its copyright page, read 2026-09-30): single values are cited with their references, the responses are not filed
8. OT-4 · Leffingwell & Associates. Odor Detection Thresholds & References: “Odor & Flavor Detection Thresholds in Water (In Parts per Billion)”, with its reference list. Web page (created 1999). www.leffingwell.com/odorthre.htm · read 2026-09-30
9. 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
10. EU-2023-1545 · Commission Regulation (EU) 2023/1545 of 26 July 2023 (labelling of fragrance allergens). OJ L 188, 27.7.2023, p. 1. eur-lex.europa.eu/eli/reg/2023/1545/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/citronellol.json · version 3 · updated 2026-09-30 · confidence A