{
 "license": "https://creativecommons.org/licenses/by/4.0/",
 "id": "alpha-santalol",
 "type": "Molecule",
 "version": 3,
 "updated": "2026-09-30",
 "station": 4,
 "confidence": "A",
 "sources": [
  "PUBCHEM-11085337",
  "GC-7",
  "EU-2023-1545"
 ],
 "notes": "Identity from data/p2/science/molecules.json (lane L, PubChem, 2026-09-27; CID 11085337, CAS 115-71-9, the (Z)-isomer’s stereo record).",
 "name": {
  "value": "α-santalol",
  "evidence": "documented",
  "source": "PUBCHEM-11085337",
  "where": "data/p2/science/molecules.json:8435",
  "quote": "Alpha-Santalol",
  "confidence": "A"
 },
 "cas": {
  "value": "115-71-9",
  "evidence": "documented",
  "source": "PUBCHEM-11085337",
  "where": "data/p2/science/molecules.json:8441",
  "quote": "verified: the CAS is among the CID's PubChem synonyms",
  "confidence": "A"
 },
 "pubchem_cid": {
  "value": 11085337,
  "evidence": "documented",
  "source": "PUBCHEM-11085337",
  "where": "data/p2/science/molecules.json:8434",
  "confidence": "A"
 },
 "formula": {
  "value": "C15H24O",
  "evidence": "documented",
  "source": "PUBCHEM-11085337",
  "where": "data/p2/science/molecules.json:8436",
  "confidence": "A"
 },
 "molecular_weight": {
  "value": 220.35,
  "evidence": "documented",
  "source": "PUBCHEM-11085337",
  "where": "data/p2/science/molecules.json:8437",
  "confidence": "A",
  "note": "g/mol, as PubChem states it"
 },
 "iupac_name": {
  "value": "(Z)-5-[(1S,3R,6R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol",
  "evidence": "documented",
  "source": "PUBCHEM-11085337",
  "where": "data/p2/science/molecules.json:8438",
  "confidence": "A"
 },
 "smiles": {
  "value": "C/C(=C/CC[C@@]1(C2C[C@H]3C1([C@H]3C2)C)C)/CO",
  "evidence": "documented",
  "source": "PUBCHEM-11085337",
  "where": "data/p2/science/molecules.json:8439",
  "confidence": "A"
 },
 "inchikey": {
  "value": "PDEQKAVEYSOLJX-RQGDDBKYSA-N",
  "evidence": "documented",
  "source": "PUBCHEM-11085337",
  "where": "data/p2/science/molecules.json:8440",
  "confidence": "A"
 },
 "conformer": {
  "kind": "PubChem computed 3D conformer",
  "conformer_id": "00A9261900000001",
  "units": "angstrom",
  "evidence": "modeled",
  "source": "PUBCHEM-11085337",
  "where": "data/p2/science/molecules.json:8445",
  "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": [
     4.1303,
     1.8906,
     -0.2781
    ]
   },
   {
    "i": 2,
    "el": "C",
    "xyz": [
     -2.3231,
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    ]
   },
   {
    "i": 3,
    "el": "C",
    "xyz": [
     -2.2338,
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     1.1066
    ]
   },
   {
    "i": 4,
    "el": "C",
    "xyz": [
     -3.3266,
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   },
   {
    "i": 5,
    "el": "C",
    "xyz": [
     -1.3028,
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    ]
   },
   {
    "i": 6,
    "el": "C",
    "xyz": [
     -1.402,
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    ]
   },
   {
    "i": 7,
    "el": "C",
    "xyz": [
     -1.1879,
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    ]
   },
   {
    "i": 8,
    "el": "C",
    "xyz": [
     -2.9441,
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   },
   {
    "i": 9,
    "el": "C",
    "xyz": [
     -2.7021,
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    ]
   },
   {
    "i": 10,
    "el": "C",
    "xyz": [
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    "el": "C",
    "xyz": [
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    ]
   },
   {
    "i": 12,
    "el": "C",
    "xyz": [
     1.1481,
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   },
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    "i": 13,
    "el": "C",
    "xyz": [
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    ]
   },
   {
    "i": 14,
    "el": "C",
    "xyz": [
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   },
   {
    "i": 15,
    "el": "C",
    "xyz": [
     3.153,
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    ]
   },
   {
    "i": 16,
    "el": "C",
    "xyz": [
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    ]
   },
   {
    "i": 17,
    "el": "H",
    "xyz": [
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    "i": 18,
    "el": "H",
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    "xyz": [
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    "el": "H",
    "xyz": [
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   },
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    "el": "H",
    "xyz": [
     -3.4558,
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    ]
   },
   {
    "i": 25,
    "el": "H",
    "xyz": [
     -3.1186,
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    ]
   },
   {
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    "el": "H",
    "xyz": [
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    ]
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    "el": "H",
    "xyz": [
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    ]
   },
   {
    "i": 29,
    "el": "H",
    "xyz": [
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   },
   {
    "i": 30,
    "el": "H",
    "xyz": [
     -1.2303,
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     -2.2919
    ]
   },
   {
    "i": 31,
    "el": "H",
    "xyz": [
     -1.5361,
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    ]
   },
   {
    "i": 32,
    "el": "H",
    "xyz": [
     0.9498,
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    ]
   },
   {
    "i": 33,
    "el": "H",
    "xyz": [
     1.165,
     0.1369,
     -1.3576
    ]
   },
   {
    "i": 34,
    "el": "H",
    "xyz": [
     2.7892,
     -2.2316,
     -0.4496
    ]
   },
   {
    "i": 35,
    "el": "H",
    "xyz": [
     3.2425,
     1.3637,
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    ]
   },
   {
    "i": 36,
    "el": "H",
    "xyz": [
     2.1661,
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     0.0992
    ]
   },
   {
    "i": 37,
    "el": "H",
    "xyz": [
     5.5473,
     -0.3567,
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    ]
   },
   {
    "i": 38,
    "el": "H",
    "xyz": [
     4.8445,
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     0.5295
    ]
   },
   {
    "i": 39,
    "el": "H",
    "xyz": [
     4.8717,
     -0.6205,
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    ]
   },
   {
    "i": 40,
    "el": "H",
    "xyz": [
     4.0151,
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     -1.2274
    ]
   }
  ],
  "bonds": [
   {
    "a": 1,
    "b": 15,
    "order": 1
   },
   {
    "a": 1,
    "b": 40,
    "order": 1
   },
   {
    "a": 2,
    "b": 3,
    "order": 1
   },
   {
    "a": 2,
    "b": 4,
    "order": 1
   },
   {
    "a": 2,
    "b": 5,
    "order": 1
   },
   {
    "a": 2,
    "b": 9,
    "order": 1
   },
   {
    "a": 3,
    "b": 4,
    "order": 1
   },
   {
    "a": 3,
    "b": 7,
    "order": 1
   },
   {
    "a": 3,
    "b": 17,
    "order": 1
   },
   {
    "a": 4,
    "b": 8,
    "order": 1
   },
   {
    "a": 4,
    "b": 18,
    "order": 1
   },
   {
    "a": 5,
    "b": 6,
    "order": 1
   },
   {
    "a": 5,
    "b": 10,
    "order": 1
   },
   {
    "a": 5,
    "b": 11,
    "order": 1
   },
   {
    "a": 6,
    "b": 7,
    "order": 1
   },
   {
    "a": 6,
    "b": 8,
    "order": 1
   },
   {
    "a": 6,
    "b": 19,
    "order": 1
   },
   {
    "a": 7,
    "b": 20,
    "order": 1
   },
   {
    "a": 7,
    "b": 21,
    "order": 1
   },
   {
    "a": 8,
    "b": 22,
    "order": 1
   },
   {
    "a": 8,
    "b": 23,
    "order": 1
   },
   {
    "a": 9,
    "b": 24,
    "order": 1
   },
   {
    "a": 9,
    "b": 25,
    "order": 1
   },
   {
    "a": 9,
    "b": 26,
    "order": 1
   },
   {
    "a": 10,
    "b": 12,
    "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
   },
   {
    "a": 12,
    "b": 13,
    "order": 1
   },
   {
    "a": 12,
    "b": 32,
    "order": 1
   },
   {
    "a": 12,
    "b": 33,
    "order": 1
   },
   {
    "a": 13,
    "b": 14,
    "order": 2
   },
   {
    "a": 13,
    "b": 34,
    "order": 1
   },
   {
    "a": 14,
    "b": 15,
    "order": 1
   },
   {
    "a": 14,
    "b": 16,
    "order": 1
   },
   {
    "a": 15,
    "b": 35,
    "order": 1
   },
   {
    "a": 15,
    "b": 36,
    "order": 1
   },
   {
    "a": 16,
    "b": 37,
    "order": 1
   },
   {
    "a": 16,
    "b": 38,
    "order": 1
   },
   {
    "a": 16,
    "b": 39,
    "order": 1
   }
  ]
 },
 "descriptors": {
  "value": null,
  "evidence": null,
  "source": null,
  "where": null,
  "confidence": null,
  "note": "no descriptor on record: no house wording on a data file, no descriptor source filed"
 },
 "threshold": {
  "value": null,
  "unit": null,
  "medium": null,
  "method": null,
  "evidence": null,
  "source": null,
  "where": null,
  "date": null,
  "confidence": null,
  "note": "no odour-threshold measurement with its method is filed: OT-1 has no santalol entry, and the open-access structure-odour study of α-santalol derivatives (Hasegawa et al. 2012, PMC6268821) reports none (Lane 14, 2026-09-30)"
 },
 "occurrence": [
  {
   "material": "sandalwood-oil",
   "share": {
    "value": null,
    "evidence": null,
    "source": null,
    "where": null,
    "confidence": null,
    "note": "not shown: the ~90 % is four sesquiterpenols together"
   },
   "evidence": "documented",
   "source": "GC-7",
   "where": "docs/sources/GC-7-diaz-chavez-2013-sandalwood-oil.md:19",
   "quote": "Four sesquiterpenols, α-, β-, and epi-β-santalol and α-exo-bergamotol, make up approximately 90% of the oil of Santalum album.",
   "note": "one of the four sesquiterpenols; with β-santalol “the most important contributors to sandalwood oil fragrance” (docs/sources/GC-7-diaz-chavez-2013-sandalwood-oil.md:25)",
   "confidence": "B"
  }
 ],
 "volatility_class": {
  "value": null,
  "evidence": null,
  "source": null,
  "where": null,
  "confidence": null,
  "note": "data/1b/volatility.json (modeled) has no entry for alpha santalol"
 },
 "regulation": {
  "value": [
   "eu-2023-1545"
  ],
  "evidence": "documented",
  "source": "EU-2023-1545",
  "where": "docs/sources/EU-2023-1545-fragrance-allergen-labelling.md:29",
  "quote": "Santalol 11031-45-1/",
  "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/sandalwood-oil",
  "card": "/materials#naturals",
  "essay": "/materials#origin-sandalwood"
 },
 "copy": {
  "lede": "α-Santalol, C15H24O, is the sesquiterpene alcohol the house’s sandalwood essay names as the oil’s principal molecule. Its identity is PubChem’s.",
  "body": [
   "A study of the oil’s biosynthesis names it, with β-santalol, as the most important contributor to the scent of sandalwood oil. No share is given: the study’s figure is for four molecules together."
  ]
 }
}