{
 "license": "https://creativecommons.org/licenses/by/4.0/",
 "id": "beta-santalol",
 "type": "Molecule",
 "version": 3,
 "updated": "2026-09-30",
 "station": 4,
 "confidence": "A",
 "sources": [
  "PUBCHEM-6857681",
  "GC-7",
  "EU-2023-1545"
 ],
 "notes": "Identity fetched from PubChem by Lane 11 (2026-09-30); raw responses in reports/plan-steps/step7/pubchem/. Not named on the page; recorded because GC-7 names it with α-santalol as the fragrance’s main contributors.",
 "name": {
  "value": "β-santalol",
  "evidence": "documented",
  "source": "PUBCHEM-6857681",
  "where": "reports/plan-steps/step7/pubchem/cid-6857681.property.json:11",
  "quote": "Beta-Santalol",
  "confidence": "A"
 },
 "cas": {
  "value": "77-42-9",
  "evidence": "documented",
  "source": "PUBCHEM-6857681",
  "where": "reports/plan-steps/step7/pubchem/cid-6857681.synonyms.json:10",
  "quote": "77-42-9",
  "confidence": "A",
  "note": "among the CID’s PubChem synonyms, and PubChem resolves it back to this CID"
 },
 "pubchem_cid": {
  "value": 6857681,
  "evidence": "documented",
  "source": "PUBCHEM-6857681",
  "where": "reports/plan-steps/step7/pubchem/cid-6857681.property.json:5",
  "confidence": "A"
 },
 "formula": {
  "value": "C15H24O",
  "evidence": "documented",
  "source": "PUBCHEM-6857681",
  "where": "reports/plan-steps/step7/pubchem/cid-6857681.property.json:6",
  "confidence": "A"
 },
 "molecular_weight": {
  "value": 220.35,
  "evidence": "documented",
  "source": "PUBCHEM-6857681",
  "where": "reports/plan-steps/step7/pubchem/cid-6857681.property.json:7",
  "confidence": "A",
  "note": "g/mol, as PubChem states it"
 },
 "iupac_name": {
  "value": "(Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol",
  "evidence": "documented",
  "source": "PUBCHEM-6857681",
  "where": "reports/plan-steps/step7/pubchem/cid-6857681.property.json:10",
  "confidence": "A"
 },
 "smiles": {
  "value": "C/C(=C/CC[C@@]1([C@H]2CC[C@H](C2)C1=C)C)/CO",
  "evidence": "documented",
  "source": "PUBCHEM-6857681",
  "where": "reports/plan-steps/step7/pubchem/cid-6857681.property.json:8",
  "confidence": "A"
 },
 "inchikey": {
  "value": "OJYKYCDSGQGTRJ-GQYWAMEOSA-N",
  "evidence": "documented",
  "source": "PUBCHEM-6857681",
  "where": "reports/plan-steps/step7/pubchem/cid-6857681.property.json:9",
  "confidence": "A"
 },
 "conformer": {
  "kind": "PubChem computed 3D conformer",
  "conformer_id": "0068A3D100000001",
  "units": "angstrom",
  "evidence": "modeled",
  "source": "PUBCHEM-6857681",
  "where": "reports/plan-steps/step7/pubchem/cid-6857681.3d.sdf:160",
  "note": "PubChem’s computed 3D conformer (the 3D SDF record): a model, drawn schematically, not an experimental structure",
  "atoms": [
   {
    "i": 1,
    "el": "O",
    "xyz": [
     -4.1964,
     -1.9847,
     -0.0803
    ]
   },
   {
    "i": 2,
    "el": "C",
    "xyz": [
     1.3447,
     -0.9642,
     -0.5542
    ]
   },
   {
    "i": 3,
    "el": "C",
    "xyz": [
     1.2151,
     0.5834,
     -0.3567
    ]
   },
   {
    "i": 4,
    "el": "C",
    "xyz": [
     2.8384,
     -0.5874,
     1.0642
    ]
   },
   {
    "i": 5,
    "el": "C",
    "xyz": [
     1.6003,
     -1.462,
     0.8776
    ]
   },
   {
    "i": 6,
    "el": "C",
    "xyz": [
     2.6874,
     -1.3588,
     -1.211
    ]
   },
   {
    "i": 7,
    "el": "C",
    "xyz": [
     2.2663,
     0.7777,
     0.7313
    ]
   },
   {
    "i": 8,
    "el": "C",
    "xyz": [
     3.7192,
     -1.0296,
     -0.1163
    ]
   },
   {
    "i": 9,
    "el": "C",
    "xyz": [
     -0.1959,
     0.958,
     0.133
    ]
   },
   {
    "i": 10,
    "el": "C",
    "xyz": [
     1.521,
     1.3882,
     -1.6275
    ]
   },
   {
    "i": 11,
    "el": "C",
    "xyz": [
     2.6121,
     1.9234,
     1.3287
    ]
   },
   {
    "i": 12,
    "el": "C",
    "xyz": [
     -1.2283,
     0.7132,
     -0.9573
    ]
   },
   {
    "i": 13,
    "el": "C",
    "xyz": [
     -2.6035,
     1.0781,
     -0.4742
    ]
   },
   {
    "i": 14,
    "el": "C",
    "xyz": [
     -3.4937,
     0.2852,
     0.1526
    ]
   },
   {
    "i": 15,
    "el": "C",
    "xyz": [
     -3.2398,
     -1.1437,
     0.5502
    ]
   },
   {
    "i": 16,
    "el": "C",
    "xyz": [
     -4.8468,
     0.8232,
     0.54
    ]
   },
   {
    "i": 17,
    "el": "H",
    "xyz": [
     0.5011,
     -1.449,
     -1.0464
    ]
   },
   {
    "i": 18,
    "el": "H",
    "xyz": [
     3.3194,
     -0.6605,
     2.0414
    ]
   },
   {
    "i": 19,
    "el": "H",
    "xyz": [
     1.825,
     -2.534,
     0.9239
    ]
   },
   {
    "i": 20,
    "el": "H",
    "xyz": [
     0.7951,
     -1.2451,
     1.5853
    ]
   },
   {
    "i": 21,
    "el": "H",
    "xyz": [
     2.8913,
     -0.8383,
     -2.15
    ]
   },
   {
    "i": 22,
    "el": "H",
    "xyz": [
     2.7048,
     -2.4348,
     -1.4238
    ]
   },
   {
    "i": 23,
    "el": "H",
    "xyz": [
     4.2958,
     -1.9262,
     0.1374
    ]
   },
   {
    "i": 24,
    "el": "H",
    "xyz": [
     4.42,
     -0.2512,
     -0.4368
    ]
   },
   {
    "i": 25,
    "el": "H",
    "xyz": [
     -0.2208,
     2.0193,
     0.4183
    ]
   },
   {
    "i": 26,
    "el": "H",
    "xyz": [
     -0.4682,
     0.4053,
     1.0397
    ]
   },
   {
    "i": 27,
    "el": "H",
    "xyz": [
     2.5961,
     1.414,
     -1.8413
    ]
   },
   {
    "i": 28,
    "el": "H",
    "xyz": [
     1.0329,
     0.961,
     -2.51
    ]
   },
   {
    "i": 29,
    "el": "H",
    "xyz": [
     1.2051,
     2.4336,
     -1.5295
    ]
   },
   {
    "i": 30,
    "el": "H",
    "xyz": [
     2.1498,
     2.8638,
     1.0499
    ]
   },
   {
    "i": 31,
    "el": "H",
    "xyz": [
     3.3672,
     1.9414,
     2.1069
    ]
   },
   {
    "i": 32,
    "el": "H",
    "xyz": [
     -1.0383,
     1.3327,
     -1.8405
    ]
   },
   {
    "i": 33,
    "el": "H",
    "xyz": [
     -1.2302,
     -0.3206,
     -1.311
    ]
   },
   {
    "i": 34,
    "el": "H",
    "xyz": [
     -2.8911,
     2.1082,
     -0.6817
    ]
   },
   {
    "i": 35,
    "el": "H",
    "xyz": [
     -3.343,
     -1.2508,
     1.6354
    ]
   },
   {
    "i": 36,
    "el": "H",
    "xyz": [
     -2.2423,
     -1.4948,
     0.2744
    ]
   },
   {
    "i": 37,
    "el": "H",
    "xyz": [
     -5.6413,
     0.2745,
     0.0241
    ]
   },
   {
    "i": 38,
    "el": "H",
    "xyz": [
     -4.9612,
     1.8829,
     0.2879
    ]
   },
   {
    "i": 39,
    "el": "H",
    "xyz": [
     -4.999,
     0.7239,
     1.6199
    ]
   },
   {
    "i": 40,
    "el": "H",
    "xyz": [
     -4.0218,
     -2.8924,
     0.2217
    ]
   }
  ],
  "bonds": [
   {
    "a": 1,
    "b": 15,
    "order": 1
   },
   {
    "a": 1,
    "b": 40,
    "order": 1
   },
   {
    "a": 2,
    "b": 3,
    "order": 1
   },
   {
    "a": 2,
    "b": 5,
    "order": 1
   },
   {
    "a": 2,
    "b": 6,
    "order": 1
   },
   {
    "a": 2,
    "b": 17,
    "order": 1
   },
   {
    "a": 3,
    "b": 7,
    "order": 1
   },
   {
    "a": 3,
    "b": 9,
    "order": 1
   },
   {
    "a": 3,
    "b": 10,
    "order": 1
   },
   {
    "a": 4,
    "b": 5,
    "order": 1
   },
   {
    "a": 4,
    "b": 7,
    "order": 1
   },
   {
    "a": 4,
    "b": 8,
    "order": 1
   },
   {
    "a": 4,
    "b": 18,
    "order": 1
   },
   {
    "a": 5,
    "b": 19,
    "order": 1
   },
   {
    "a": 5,
    "b": 20,
    "order": 1
   },
   {
    "a": 6,
    "b": 8,
    "order": 1
   },
   {
    "a": 6,
    "b": 21,
    "order": 1
   },
   {
    "a": 6,
    "b": 22,
    "order": 1
   },
   {
    "a": 7,
    "b": 11,
    "order": 2
   },
   {
    "a": 8,
    "b": 23,
    "order": 1
   },
   {
    "a": 8,
    "b": 24,
    "order": 1
   },
   {
    "a": 9,
    "b": 12,
    "order": 1
   },
   {
    "a": 9,
    "b": 25,
    "order": 1
   },
   {
    "a": 9,
    "b": 26,
    "order": 1
   },
   {
    "a": 10,
    "b": 27,
    "order": 1
   },
   {
    "a": 10,
    "b": 28,
    "order": 1
   },
   {
    "a": 10,
    "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 (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": "with α-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 beta 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",
  "essay": "/materials#origin-sandalwood"
 },
 "copy": {
  "lede": "β-Santalol, C15H24O, is the second of the two santalols a study of the oil’s biosynthesis names as the main contributors to the scent of sandalwood oil. Its identity is PubChem’s.",
  "body": [
   "No share is given: no multi-sample measured figure with its method is filed."
  ]
 }
}