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β-santalol

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.

No share is given: no multi-sample measured figure with its method is filed.

Read the essay · 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
β-santalol
documented

Beta-Santalol

PUBCHEM-6857681 · PubChem Compound Summary for CID 6857681, Beta-Santalol ((Z)-2-methyl-5-[(1S,2R,4R)-2-meth · read 2026-09-30

confidence A

CAS
77-42-9
documented

77-42-9

PUBCHEM-6857681 · PubChem Compound Summary for CID 6857681, Beta-Santalol ((Z)-2-methyl-5-[(1S,2R,4R)-2-meth · read 2026-09-30

among the CID’s PubChem synonyms, and PubChem resolves it back to this CID

confidence A

PubChem CID
6857681
documented

PUBCHEM-6857681 · PubChem Compound Summary for CID 6857681, Beta-Santalol ((Z)-2-methyl-5-[(1S,2R,4R)-2-meth · read 2026-09-30

confidence A

Formula
C15H24O
documented

PUBCHEM-6857681 · PubChem Compound Summary for CID 6857681, Beta-Santalol ((Z)-2-methyl-5-[(1S,2R,4R)-2-meth · read 2026-09-30

confidence A

Molecular weight
220.35
documented

PUBCHEM-6857681 · PubChem Compound Summary for CID 6857681, Beta-Santalol ((Z)-2-methyl-5-[(1S,2R,4R)-2-meth · read 2026-09-30

g/mol, as PubChem states it

confidence A

IUPAC name
(Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
documented

PUBCHEM-6857681 · PubChem Compound Summary for CID 6857681, Beta-Santalol ((Z)-2-methyl-5-[(1S,2R,4R)-2-meth · read 2026-09-30

confidence A

SMILES
C/C(=C/CC[C@@]1([C@H]2CC[C@H](C2)C1=C)C)/CO
documented

PUBCHEM-6857681 · PubChem Compound Summary for CID 6857681, Beta-Santalol ((Z)-2-methyl-5-[(1S,2R,4R)-2-meth · read 2026-09-30

confidence A

InChIKey
OJYKYCDSGQGTRJ-GQYWAMEOSA-N
documented

PUBCHEM-6857681 · PubChem Compound Summary for CID 6857681, Beta-Santalol ((Z)-2-methyl-5-[(1S,2R,4R)-2-meth · read 2026-09-30

confidence A

Odour threshold
withheld: not on record
withheld

no odour-threshold measurement with its method is filed: OT-1 has no santalol entry (the house’s review, 2026-09-30)

Descriptors
not on record
not on record

no descriptor on record: no house wording on a data file, no descriptor source filed

Volatility class
not on record
not on record

the simulator’s data (modeled) has no entry for beta santalol

Regulation
documented

EU-2023-1545: each record above quotes its entry.

3D structure
PubChem computed 3D conformer · 40 atoms, 41 bonds
modeled

PUBCHEM-6857681 · PubChem Compound Summary for CID 6857681, Beta-Santalol ((Z)-2-methyl-5-[(1S,2R,4R)-2-meth · read 2026-09-30

PubChem’s computed 3D conformer (the 3D SDF record): a model, drawn schematically, not an experimental structure

confidence A

Occurs in
  • sandalwood oil
    documented · no share

    with α-santalol “the most important contributors to sandalwood oil fragrance” (GC-7)

    confidence B

Sources

  1. PUBCHEM-6857681 · PubChem Compound Summary for CID 6857681, Beta-Santalol ((Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol). National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine; live database, read 2026-09-30 through the PUG REST endpoints (no account): https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/beta-santalol/cids/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/6857681/property/MolecularFormula,MolecularWeight,IUPACName,Title,SMILES,InChIKey/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/6857681/synonyms/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/6857681/SDF?record_type=3d · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/77-42-9/cids/JSON. pubchem.ncbi.nlm.nih.gov/compound/6857681 · read 2026-09-30 · PubChem data are provided by NCBI (public-domain data; cite PubChem, the asset register molecules row); the computed conformer is PubChem-generated. The raw responses are filed as fetched (the house’s records).
  2. GC-7 · Diaz-Chavez ML, Moniodis J, Madilao LL, Jancsik S, Keeling CI, Barbour EL, Ghisalberti EL, Plummer JA, Jones CG, Bohlmann J. Biosynthesis of Sandalwood Oil: Santalum album CYP76F Cytochromes P450 Produce Santalols and Bergamotol. PLoS ONE 2013;8(9):e75053. DOI 10.1371/journal.pone.0075053. PMID 24324844. PMCID PMC3854609. doi.org/10.1371/journal.pone.0075053 · read 2026-09-30 · Creative Commons Attribution License (open access, as the article states); short quotes only, the text is not filed
  3. 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/beta-santalol.json · version 3 · updated 2026-09-30 · confidence A