{
 "license": "https://creativecommons.org/licenses/by/4.0/",
 "id": "citronellol",
 "type": "Molecule",
 "version": 3,
 "updated": "2026-09-30",
 "station": 4,
 "confidence": "A",
 "sources": [
  "PUBCHEM-8842",
  "S6",
  "GC-1",
  "S4",
  "S11",
  "GC-2",
  "OT-1",
  "OT-4",
  "EU-2009-1223",
  "EU-2023-1545"
 ],
 "name": {
  "value": "citronellol",
  "evidence": "documented",
  "source": "PUBCHEM-8842",
  "where": "data/p2/science/molecules.json:13045",
  "confidence": "A",
  "quote": "Citronellol"
 },
 "cas": {
  "value": "106-22-9",
  "evidence": "documented",
  "source": "PUBCHEM-8842",
  "where": "data/p2/science/molecules.json:13051",
  "confidence": "A",
  "quote": "verified: the CAS is among the CID's PubChem synonyms"
 },
 "pubchem_cid": {
  "value": 8842,
  "evidence": "documented",
  "source": "PUBCHEM-8842",
  "where": "data/p2/science/molecules.json:13044",
  "confidence": "A"
 },
 "formula": {
  "value": "C10H20O",
  "evidence": "documented",
  "source": "PUBCHEM-8842",
  "where": "data/p2/science/molecules.json:13046",
  "confidence": "A"
 },
 "molecular_weight": {
  "value": 156.26,
  "evidence": "documented",
  "source": "PUBCHEM-8842",
  "where": "data/p2/science/molecules.json:13047",
  "confidence": "A",
  "note": "g/mol, as PubChem states it"
 },
 "iupac_name": {
  "value": "3,7-dimethyloct-6-en-1-ol",
  "evidence": "documented",
  "source": "PUBCHEM-8842",
  "where": "data/p2/science/molecules.json:13048",
  "confidence": "A"
 },
 "smiles": {
  "value": "CC(CCC=C(C)C)CCO",
  "evidence": "documented",
  "source": "PUBCHEM-8842",
  "where": "data/p2/science/molecules.json:13049",
  "confidence": "A"
 },
 "inchikey": {
  "value": "QMVPMAAFGQKVCJ-UHFFFAOYSA-N",
  "evidence": "documented",
  "source": "PUBCHEM-8842",
  "where": "data/p2/science/molecules.json:13050",
  "confidence": "A"
 },
 "conformer": {
  "kind": "PubChem computed 3D conformer",
  "conformer_id": "0000228A00000001",
  "units": "angstrom",
  "evidence": "modeled",
  "source": "PUBCHEM-8842",
  "where": "data/p2/science/molecules.json:13056",
  "note": "PubChem’s computed 3D conformer: a model, drawn schematically, not an experimental structure (data/p2/science/molecules.json note)",
  "atoms": [
   {
    "i": 1,
    "el": "O",
    "xyz": [
     -3.9704,
     1.6126,
     -0.3961
    ]
   },
   {
    "i": 2,
    "el": "C",
    "xyz": [
     -1.1328,
     -0.7723,
     0.4007
    ]
   },
   {
    "i": 3,
    "el": "C",
    "xyz": [
     -0.042,
     -1.391,
     -0.5045
    ]
   },
   {
    "i": 4,
    "el": "C",
    "xyz": [
     -2.1028,
     0.1125,
     -0.4044
    ]
   },
   {
    "i": 5,
    "el": "C",
    "xyz": [
     0.8347,
     -0.3887,
     -1.2693
    ]
   },
   {
    "i": 6,
    "el": "C",
    "xyz": [
     -1.8741,
     -1.9026,
     1.1258
    ]
   },
   {
    "i": 7,
    "el": "C",
    "xyz": [
     -3.1564,
     0.8095,
     0.4499
    ]
   },
   {
    "i": 8,
    "el": "C",
    "xyz": [
     1.5409,
     0.5779,
     -0.36
    ]
   },
   {
    "i": 9,
    "el": "C",
    "xyz": [
     2.7914,
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     0.1337
    ]
   },
   {
    "i": 10,
    "el": "C",
    "xyz": [
     3.4364,
     1.5084,
     1.0421
    ]
   },
   {
    "i": 11,
    "el": "C",
    "xyz": [
     3.6751,
     -0.6672,
     -0.2179
    ]
   },
   {
    "i": 12,
    "el": "H",
    "xyz": [
     -0.6479,
     -0.1547,
     1.1669
    ]
   },
   {
    "i": 13,
    "el": "H",
    "xyz": [
     -0.5172,
     -2.0559,
     -1.2376
    ]
   },
   {
    "i": 14,
    "el": "H",
    "xyz": [
     0.6098,
     -2.0275,
     0.1086
    ]
   },
   {
    "i": 15,
    "el": "H",
    "xyz": [
     -2.6021,
     -0.4824,
     -1.1804
    ]
   },
   {
    "i": 16,
    "el": "H",
    "xyz": [
     -1.551,
     0.8906,
     -0.9433
    ]
   },
   {
    "i": 17,
    "el": "H",
    "xyz": [
     1.5456,
     -0.9396,
     -1.8942
    ]
   },
   {
    "i": 18,
    "el": "H",
    "xyz": [
     0.2321,
     0.1817,
     -1.985
    ]
   },
   {
    "i": 19,
    "el": "H",
    "xyz": [
     -2.4593,
     -2.5074,
     0.4249
    ]
   },
   {
    "i": 20,
    "el": "H",
    "xyz": [
     -1.1673,
     -2.5659,
     1.6363
    ]
   },
   {
    "i": 21,
    "el": "H",
    "xyz": [
     -2.5519,
     -1.5109,
     1.8901
    ]
   },
   {
    "i": 22,
    "el": "H",
    "xyz": [
     -2.699,
     1.4505,
     1.2098
    ]
   },
   {
    "i": 23,
    "el": "H",
    "xyz": [
     -3.8149,
     0.0926,
     0.9465
    ]
   },
   {
    "i": 24,
    "el": "H",
    "xyz": [
     0.9455,
     1.4432,
     -0.0707
    ]
   },
   {
    "i": 25,
    "el": "H",
    "xyz": [
     -3.397,
     2.2827,
     -0.8057
    ]
   },
   {
    "i": 26,
    "el": "H",
    "xyz": [
     2.7642,
     2.3466,
     1.2535
    ]
   },
   {
    "i": 27,
    "el": "H",
    "xyz": [
     4.3422,
     1.9142,
     0.5802
    ]
   },
   {
    "i": 28,
    "el": "H",
    "xyz": [
     3.7055,
     1.0465,
     1.9974
    ]
   },
   {
    "i": 29,
    "el": "H",
    "xyz": [
     4.1602,
     -1.0521,
     0.6865
    ]
   },
   {
    "i": 30,
    "el": "H",
    "xyz": [
     3.1489,
     -1.5151,
     -0.6612
    ]
   },
   {
    "i": 31,
    "el": "H",
    "xyz": [
     4.4588,
     -0.3479,
     -0.9128
    ]
   }
  ],
  "bonds": [
   {
    "a": 1,
    "b": 7,
    "order": 1
   },
   {
    "a": 1,
    "b": 25,
    "order": 1
   },
   {
    "a": 2,
    "b": 3,
    "order": 1
   },
   {
    "a": 2,
    "b": 4,
    "order": 1
   },
   {
    "a": 2,
    "b": 6,
    "order": 1
   },
   {
    "a": 2,
    "b": 12,
    "order": 1
   },
   {
    "a": 3,
    "b": 5,
    "order": 1
   },
   {
    "a": 3,
    "b": 13,
    "order": 1
   },
   {
    "a": 3,
    "b": 14,
    "order": 1
   },
   {
    "a": 4,
    "b": 7,
    "order": 1
   },
   {
    "a": 4,
    "b": 15,
    "order": 1
   },
   {
    "a": 4,
    "b": 16,
    "order": 1
   },
   {
    "a": 5,
    "b": 8,
    "order": 1
   },
   {
    "a": 5,
    "b": 17,
    "order": 1
   },
   {
    "a": 5,
    "b": 18,
    "order": 1
   },
   {
    "a": 6,
    "b": 19,
    "order": 1
   },
   {
    "a": 6,
    "b": 20,
    "order": 1
   },
   {
    "a": 6,
    "b": 21,
    "order": 1
   },
   {
    "a": 7,
    "b": 22,
    "order": 1
   },
   {
    "a": 7,
    "b": 23,
    "order": 1
   },
   {
    "a": 8,
    "b": 9,
    "order": 2
   },
   {
    "a": 8,
    "b": 24,
    "order": 1
   },
   {
    "a": 9,
    "b": 10,
    "order": 1
   },
   {
    "a": 9,
    "b": 11,
    "order": 1
   },
   {
    "a": 10,
    "b": 26,
    "order": 1
   },
   {
    "a": 10,
    "b": 27,
    "order": 1
   },
   {
    "a": 10,
    "b": 28,
    "order": 1
   },
   {
    "a": 11,
    "b": 29,
    "order": 1
   },
   {
    "a": 11,
    "b": 30,
    "order": 1
   },
   {
    "a": 11,
    "b": 31,
    "order": 1
   }
  ]
 },
 "descriptors": {
  "value": [
   "soapy",
   "rose-like"
  ],
  "evidence": "documented",
  "source": "OT-1",
  "where": "docs/sources/OT-1-leibniz-lsb-odorant-database.md:55",
  "quote": "β-citronellol | CAS 106-22-9, 1117-61-9, 7540-51-4 | Odor quality: soapy, rose-like",
  "confidence": "A"
 },
 "threshold": {
  "value": null,
  "unit": null,
  "medium": null,
  "method": null,
  "evidence": null,
  "source": null,
  "where": null,
  "date": null,
  "confidence": null,
  "note": "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)"
 },
 "occurrence": [
  {
   "material": "rose-otto",
   "evidence": "measured",
   "source": "S6",
   "where": "docs/sources/S6-kumar-2023-damask-rose-clones.md:13",
   "quote": "citronellol (20.35-44.75%) and geraniol (15.63-27.76%) were highest",
   "note": "the range is one study’s and is not shown as a share",
   "confidence": "A"
  },
  {
   "material": "rose-absolute",
   "evidence": "measured",
   "source": "GC-1",
   "where": "docs/sources/GC-1-cevikbas-2024-rose-absolute.md:13",
   "confidence": "A"
  }
 ],
 "volatility_class": {
  "value": null,
  "evidence": null,
  "source": null,
  "where": null,
  "confidence": null,
  "note": "data/1b/volatility.json has no entry for citronellol"
 },
 "regulation": {
  "value": [
   "eu-2009-1223",
   "eu-2023-1545"
  ],
  "evidence": "documented",
  "source": "EU-2009-1223",
  "sources": [
   "EU-2023-1545"
  ],
  "where": "docs/sources/EU-2009-1223-cosmetics-regulation.md:44",
  "quote": "86 Citronellol/(±) -3,7-dimethyloct-6-en-1-ol Citronellol 106-22-9/26489-01-0",
  "confidence": "A",
  "note": "Lane 20: the Regulation records that apply to it (educational summaries as of 2026-09-30; not compliance advice)"
 },
 "media": [],
 "links": {
  "card": "/materials#naturals",
  "material": "/material/rose-otto"
 },
 "copy": {
  "lede": "Citronellol is an acyclic monoterpene alcohol and, with geraniol, one of the two largest constituents of the damask-rose oils that have been profiled; it is also in the absolute."
 },
 "descriptor_links": [
  {
   "as_used": "soapy",
   "descriptor": "soapy"
  },
  {
   "as_used": "rose-like",
   "descriptor": "rose"
  }
 ]
}