β-santalol

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

Read the essay · The material

In your room

A model you can turn here or place in your room with a phone. Nothing is fetched until you ask; nothing is stored or sent. Everything you can place in a room.

molecule

The β-santalol molecule

A computed 3D conformer , modeled, not a photograph of a molecule. PubChem CID 6857681.

To place it in your room, open this page on an iPhone or iPad (AR Quick Look) or an Android phone (Google Scene Viewer). The files below open in any 3D viewer.

PubChem’s computed 3D conformer of β-santalol (CID 6857681, conformer 0068A3D100000001): the shape a computer model gives the molecule, not an experimental structure and not a picture of a real molecule. Ball and stick: 15 carbon, 1 oxygen; the 24 hydrogen atoms are left out for clarity. The balls are drawn smaller than the atoms’ real reach; a double bond is two sticks, side by side.

In the room

scaled so that one ångström is 4 cm (about 400 million times life size): 18.3 cm tall, 37 cm across

Atoms

15 carbon, 1 oxygen · 17 bonds between them

Colours

carbon: ink sepia-2; oxygen: rose highlight; bonds: brass. Colour is a convention here and never carries the meaning alone: the letters on the drawing and this list say which atom is which.

Source

PubChem, CID 6857681 (National Center for Biotechnology Information), its computed 3D conformer as filed on this record

Licence

PubChem’s data are public (NCBI); the model and its drawing were made for this site from those coordinates

The files GLB 23 KB · USDZ 52 KB · the drawing (SVG) 6 KB

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 · read 2026-09-30

confidence A

CAS

77-42-9

documented

77-42-9

PUBCHEM-6857681 · PubChem Compound Summary for CID 6857681, Beta-Santalol · 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 · read 2026-09-30

confidence A

Formula

C15H24O

documented

PUBCHEM-6857681 · PubChem Compound Summary for CID 6857681, Beta-Santalol · read 2026-09-30

confidence A

Molecular weight

220.35

documented

PUBCHEM-6857681 · PubChem Compound Summary for CID 6857681, Beta-Santalol · 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 · 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 · read 2026-09-30

confidence A

InChIKey

OJYKYCDSGQGTRJ-GQYWAMEOSA-N

documented

PUBCHEM-6857681 · PubChem Compound Summary for CID 6857681, Beta-Santalol · 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 house’s volatility table (modeled) has no entry for beta santalol

Regulation

• Regulation (EU) 2023/1545 (labelling of fragrance allergens)

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 · read 2026-09-30

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

confidence A

Wikidata

Q2055416

documented

P662 PubChem CID: 6857681

WD-1 · Wikidata (Wikimedia Foundation) · read 2026-09-30

the item states PubChem CID 6857681 (P662) and the record’s InChIKey (P235); found by the statement search haswbstatement:P662=6857681

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 · public domain (US government work, NCBI/NLM); acknowledgement requested , cite PubChem
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 · CC BY 4.0
3. WD-1 · Wikidata (Wikimedia Foundation): the items named on each record (each statement read with its references), read 2026-09-30. www.wikidata.org · read 2026-09-30 · CC0 1.0

Our text and structure are CC BY 4.0; quoted source text stays under its owners’ terms.

this record as data: /data/molecule/beta-santalol.json · version 5 · updated 2026-10-01 · confidence A