{
 "license": "https://creativecommons.org/licenses/by/4.0/",
 "id": "linalool",
 "type": "Molecule",
 "version": 4,
 "updated": "2026-09-30",
 "station": 4,
 "confidence": "A",
 "sources": [
  "PUBCHEM-6549",
  "GC-3",
  "OT-2",
  "OT-1",
  "OT-4",
  "EU-2009-1223"
 ],
 "notes": "Lane 11 (2026-09-30): occurrence in bergamot oil from GC-3. Lane 11 (2026-09-30): occurrence in bergamot oil from GC-3.",
 "name": {
  "value": "linalool",
  "evidence": "documented",
  "source": "PUBCHEM-6549",
  "where": "data/p2/science/molecules.json:3743",
  "confidence": "A",
  "quote": "Linalool"
 },
 "cas": {
  "value": "78-70-6",
  "evidence": "documented",
  "source": "PUBCHEM-6549",
  "where": "data/p2/science/molecules.json:3749",
  "confidence": "A",
  "quote": "verified: the CAS is among the CID's PubChem synonyms"
 },
 "pubchem_cid": {
  "value": 6549,
  "evidence": "documented",
  "source": "PUBCHEM-6549",
  "where": "data/p2/science/molecules.json:3742",
  "confidence": "A"
 },
 "formula": {
  "value": "C10H18O",
  "evidence": "documented",
  "source": "PUBCHEM-6549",
  "where": "data/p2/science/molecules.json:3744",
  "confidence": "A"
 },
 "molecular_weight": {
  "value": 154.25,
  "evidence": "documented",
  "source": "PUBCHEM-6549",
  "where": "data/p2/science/molecules.json:3745",
  "confidence": "A",
  "note": "g/mol, as PubChem states it"
 },
 "iupac_name": {
  "value": "3,7-dimethylocta-1,6-dien-3-ol",
  "evidence": "documented",
  "source": "PUBCHEM-6549",
  "where": "data/p2/science/molecules.json:3746",
  "confidence": "A"
 },
 "smiles": {
  "value": "CC(=CCCC(C)(C=C)O)C",
  "evidence": "documented",
  "source": "PUBCHEM-6549",
  "where": "data/p2/science/molecules.json:3747",
  "confidence": "A"
 },
 "inchikey": {
  "value": "CDOSHBSSFJOMGT-UHFFFAOYSA-N",
  "evidence": "documented",
  "source": "PUBCHEM-6549",
  "where": "data/p2/science/molecules.json:3748",
  "confidence": "A"
 },
 "conformer": {
  "kind": "PubChem computed 3D conformer",
  "conformer_id": "0000199500000007",
  "units": "angstrom",
  "evidence": "modeled",
  "source": "PUBCHEM-6549",
  "where": "data/p2/science/molecules.json:3754",
  "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": [
     2.5076,
     -0.9774,
     -1.4002
    ]
   },
   {
    "i": 2,
    "el": "C",
    "xyz": [
     1.883,
     -0.4122,
     -0.2342
    ]
   },
   {
    "i": 3,
    "el": "C",
    "xyz": [
     0.3689,
     -0.715,
     -0.3439
    ]
   },
   {
    "i": 4,
    "el": "C",
    "xyz": [
     -0.4866,
     -0.1797,
     0.8095
    ]
   },
   {
    "i": 5,
    "el": "C",
    "xyz": [
     2.5075,
     -1.1429,
     0.9608
    ]
   },
   {
    "i": 6,
    "el": "C",
    "xyz": [
     2.1411,
     1.08,
     -0.2757
    ]
   },
   {
    "i": 7,
    "el": "C",
    "xyz": [
     -1.9254,
     -0.5861,
     0.6467
    ]
   },
   {
    "i": 8,
    "el": "C",
    "xyz": [
     -2.9016,
     0.089,
     0.0107
    ]
   },
   {
    "i": 9,
    "el": "C",
    "xyz": [
     -4.3257,
     -0.3726,
     -0.1177
    ]
   },
   {
    "i": 10,
    "el": "C",
    "xyz": [
     -2.6098,
     1.4061,
     -0.6568
    ]
   },
   {
    "i": 11,
    "el": "C",
    "xyz": [
     2.841,
     1.8107,
     0.6008
    ]
   },
   {
    "i": 12,
    "el": "H",
    "xyz": [
     -0.0094,
     -0.315,
     -1.2958
    ]
   },
   {
    "i": 13,
    "el": "H",
    "xyz": [
     0.2328,
     -1.8028,
     -0.4294
    ]
   },
   {
    "i": 14,
    "el": "H",
    "xyz": [
     -0.3903,
     0.906,
     0.9086
    ]
   },
   {
    "i": 15,
    "el": "H",
    "xyz": [
     -0.1374,
     -0.5931,
     1.7628
    ]
   },
   {
    "i": 16,
    "el": "H",
    "xyz": [
     2.2879,
     -2.2162,
     0.915
    ]
   },
   {
    "i": 17,
    "el": "H",
    "xyz": [
     3.601,
     -1.0598,
     0.945
    ]
   },
   {
    "i": 18,
    "el": "H",
    "xyz": [
     2.1479,
     -0.7622,
     1.9218
    ]
   },
   {
    "i": 19,
    "el": "H",
    "xyz": [
     1.7142,
     1.6101,
     -1.1263
    ]
   },
   {
    "i": 20,
    "el": "H",
    "xyz": [
     -2.1827,
     -1.5444,
     1.0956
    ]
   },
   {
    "i": 21,
    "el": "H",
    "xyz": [
     2.1069,
     -0.5717,
     -2.1882
    ]
   },
   {
    "i": 22,
    "el": "H",
    "xyz": [
     -4.5922,
     -0.5032,
     -1.1713
    ]
   },
   {
    "i": 23,
    "el": "H",
    "xyz": [
     -5.0055,
     0.3604,
     0.3282
    ]
   },
   {
    "i": 24,
    "el": "H",
    "xyz": [
     -4.4864,
     -1.3298,
     0.3893
    ]
   },
   {
    "i": 25,
    "el": "H",
    "xyz": [
     -3.1266,
     2.2142,
     -0.1283
    ]
   },
   {
    "i": 26,
    "el": "H",
    "xyz": [
     -1.5505,
     1.6655,
     -0.7108
    ]
   },
   {
    "i": 27,
    "el": "H",
    "xyz": [
     -2.9756,
     1.3876,
     -1.6897
    ]
   },
   {
    "i": 28,
    "el": "H",
    "xyz": [
     2.9549,
     2.879,
     0.4489
    ]
   },
   {
    "i": 29,
    "el": "H",
    "xyz": [
     3.3104,
     1.3791,
     1.4764
    ]
   }
  ],
  "bonds": [
   {
    "a": 1,
    "b": 2,
    "order": 1
   },
   {
    "a": 1,
    "b": 21,
    "order": 1
   },
   {
    "a": 2,
    "b": 3,
    "order": 1
   },
   {
    "a": 2,
    "b": 5,
    "order": 1
   },
   {
    "a": 2,
    "b": 6,
    "order": 1
   },
   {
    "a": 3,
    "b": 4,
    "order": 1
   },
   {
    "a": 3,
    "b": 12,
    "order": 1
   },
   {
    "a": 3,
    "b": 13,
    "order": 1
   },
   {
    "a": 4,
    "b": 7,
    "order": 1
   },
   {
    "a": 4,
    "b": 14,
    "order": 1
   },
   {
    "a": 4,
    "b": 15,
    "order": 1
   },
   {
    "a": 5,
    "b": 16,
    "order": 1
   },
   {
    "a": 5,
    "b": 17,
    "order": 1
   },
   {
    "a": 5,
    "b": 18,
    "order": 1
   },
   {
    "a": 6,
    "b": 11,
    "order": 2
   },
   {
    "a": 6,
    "b": 19,
    "order": 1
   },
   {
    "a": 7,
    "b": 8,
    "order": 2
   },
   {
    "a": 7,
    "b": 20,
    "order": 1
   },
   {
    "a": 8,
    "b": 9,
    "order": 1
   },
   {
    "a": 8,
    "b": 10,
    "order": 1
   },
   {
    "a": 9,
    "b": 22,
    "order": 1
   },
   {
    "a": 9,
    "b": 23,
    "order": 1
   },
   {
    "a": 9,
    "b": 24,
    "order": 1
   },
   {
    "a": 10,
    "b": 25,
    "order": 1
   },
   {
    "a": 10,
    "b": 26,
    "order": 1
   },
   {
    "a": 10,
    "b": 27,
    "order": 1
   },
   {
    "a": 11,
    "b": 28,
    "order": 1
   },
   {
    "a": 11,
    "b": 29,
    "order": 1
   }
  ]
 },
 "descriptors": {
  "value": [
   "sharper",
   "more medicinal"
  ],
  "evidence": "house interpretation",
  "source": null,
  "where": "radlerboutique.html:9365",
  "confidence": "C",
  "note": "the house essay’s words, set against linalyl acetate; no descriptor source is filed"
 },
 "threshold": {
  "value": 3.2,
  "unit": "ng/L",
  "medium": "air",
  "method": "GC-olfactometry odour threshold in air against (E)-dec-2-enal as internal standard; the geometric mean of eight trained assessors",
  "evidence": "measured",
  "source": "OT-2",
  "where": "docs/sources/OT-2-elsharif-2015-linalool-odour-thresholds.md:19",
  "date": "2015",
  "confidence": "A",
  "note": "in water, the racemate 0.58 µg/kg and (R)-linalool 0.087 µg/kg (OT-1); the site’s old “~6 ppb” is a compiled value in water that states no method (OT-4)"
 },
 "occurrence": [
  {
   "material": "bergamot-essential-oil",
   "share": {
    "value": null,
    "evidence": null,
    "source": null,
    "where": null,
    "confidence": null,
    "note": "no share shown: the review’s range has no sample count or method"
   },
   "evidence": "documented",
   "source": "GC-3",
   "where": "docs/sources/GC-3-navarra-2015-bergamot-oil.md:22",
   "quote": "They include monoterpene limonene (25–53%) and high quantities of oxygenated compounds, such as linalool (2–20%), linalyl acetate (15–40%), γ-terpinene, and β-pinene (Mondello et al., 1998).",
   "note": "named by a review of bergamot oil (Lane 11); its range is not shown. In lavender oil the link is still the trade’s convention, recorded on materials/lavender-essential-oil",
   "confidence": "B"
  }
 ],
 "volatility_class": {
  "value": "top",
  "evidence": "modeled",
  "source": null,
  "where": "data/1b/volatility.json:38",
  "confidence": "C",
  "note": "the volatility simulator’s act rule, a site constant: data/1b/volatility.json says its values “were chosen for the simulator and are not measurements”"
 },
 "regulation": {
  "value": [
   "eu-2009-1223"
  ],
  "evidence": "documented",
  "source": "EU-2009-1223",
  "where": "docs/sources/EU-2009-1223-cosmetics-regulation.md:41",
  "quote": "84 1,6-Octadien-3-ol, 3,7-dimethyl- Linalool 78-70-6",
  "confidence": "A",
  "note": "Lane 20: the Regulation records that apply to it (educational summaries as of 2026-09-30; not compliance advice)"
 },
 "media": [],
 "links": {
  "material": "/material/lavender-essential-oil",
  "explorer": "/science#mol-explorer",
  "card": "/materials#naturals",
  "essay": "/materials#origin-lavender"
 },
 "copy": {
  "lede": "Linalool, C10H18O, is the molecule the house’s lavender essay names beside linalyl acetate. Its identity is PubChem’s; its place in lavender oil is the trade’s convention on this site, with no analysis filed.",
  "body": [
   "The page once gave its boiling point and said it is found in more than two hundred plant species; neither figure had a source and the site gives neither now. Its volatility class is the simulator’s modeled constant, not a measurement."
  ]
 },
 "descriptor_links": [
  {
   "as_used": "sharper",
   "descriptor": "sharp"
  },
  {
   "as_used": "more medicinal",
   "descriptor": "medicinal"
  }
 ]
}