β-damascenone

Its odour threshold, measured in water, is 0.006 micrograms per kilogram: a few parts per trillion. The figure the site once gave, two parts per trillion, is an older measurement from a compilation that does not state its method; the value shown is the one with its method on record. The structure drawn here is PubChem’s computed conformer: a model, not a measured structure.

Read the essay · The card · The material · Turn it in 3D

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-damascenone molecule

A computed 3D conformer , modeled, not a photograph of a molecule. PubChem CID 5366074.

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-damascenone (CID 5366074, conformer 0051E13A00000002): the shape a computer model gives the molecule, not an experimental structure and not a picture of a real molecule. Ball and stick: 13 carbon, 1 oxygen; the 18 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): 22.7 cm tall, 32.4 cm across

Atoms

13 carbon, 1 oxygen · 14 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 5366074 (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 22 KB · USDZ 51 KB · the drawing (SVG) 5 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-damascenone

documented

beta-Damascenone

PUBCHEM-5366074 · PubChem Compound Summary for CID 5366074, beta-Damascenone · read 2026-09-27

confidence A

CAS

23696-85-7

documented

verified: the CAS is among the CID's PubChem synonyms

PUBCHEM-5366074 · PubChem Compound Summary for CID 5366074, beta-Damascenone · read 2026-09-27

confidence A

PubChem CID

5366074

documented

PUBCHEM-5366074 · PubChem Compound Summary for CID 5366074, beta-Damascenone · read 2026-09-27

confidence A

Formula

C13H18O

documented

PUBCHEM-5366074 · PubChem Compound Summary for CID 5366074, beta-Damascenone · read 2026-09-27

confidence A

Molecular weight

190.28

documented

PUBCHEM-5366074 · PubChem Compound Summary for CID 5366074, beta-Damascenone · read 2026-09-27

g/mol, as PubChem states it

confidence A

IUPAC name

(E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one

documented

PUBCHEM-5366074 · PubChem Compound Summary for CID 5366074, beta-Damascenone · read 2026-09-27

confidence A

SMILES

C/C=C/C(=O)C1=C(C=CCC1(C)C)C

documented

PUBCHEM-5366074 · PubChem Compound Summary for CID 5366074, beta-Damascenone · read 2026-09-27

confidence A

InChIKey

POIARNZEYGURDG-FNORWQNLSA-N

documented

PUBCHEM-5366074 · PubChem Compound Summary for CID 5366074, beta-Damascenone · read 2026-09-27

confidence A

Odour threshold

0.006 µg/kg in water (orthonasal odour detection threshold in water, determined by the method of Czerny et al. 2008, Eur Food Res Technol 228:265–273, as the database states)

measured

OT-1 · Kreissl et al. (2022). Leibniz-LSB@TUM Odorant Database, Version 1.2 · read 2026-09-30

about six parts per trillion by mass. The Leibniz-LSB@TUM database lists the (E)-isomer (CAS 23726-93-4; this record’s PubChem CID is the (E)-isomer). The figures the site once gave (in water and in air) came from a proprietary compilation (OT-4, a source the house does not use), withdrawn as a source on 2026-09-30, and are not repeated; the database’s air values for β-damascenone are 0.002–0.004 ng/L, Blank et al. 1992 (OT-1). (the open-questions list).

confidence A

Descriptors

rose, fruity, jammy

house interpretation

the house’s own reading, labelled as such

the house’s own odour words on the page’s MOLS entry; no descriptor source is filed

confidence C

Volatility class

not on record

not on record

the house’s volatility table (modeled) has no entry for β-damascenone

Regulation

• IFRA Standard: Rose ketones

documented

IFRA-077: each record above quotes its entry.

3D structure

PubChem computed 3D conformer · 32 atoms, 32 bonds

modeled

PUBCHEM-5366074 · PubChem Compound Summary for CID 5366074, beta-Damascenone · read 2026-09-27

PubChem’s computed 3D conformer: a model, drawn schematically, not an experimental structure (the house’s molecules data note)

confidence A

Wikidata

Q416126

documented

P662 PubChem CID: 5366074

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

the item states PubChem CID 5366074 (P662) and the record’s InChIKey (P235); found by the statement search haswbstatement:P662=5366074

confidence A

Odeuropa

EOKG concept

documented

{"concept":"http://data.odeuropa.eu/vocabulary/flavornet/odorants/591","relation":"owl:sameAs","via":"Q416126","label":"β-damascenone","scheme":"http://data.odeuropa.eu/vocabulary/flavornet/odorants/"}

ODEUROPA-1 · Lisena, P., Ehrhart, T., Troncy, R · read 2026-09-30

the EOKG concept “β-damascenone” states owl:sameAs Q416126

confidence A

Occurs in

• rose otto (rose oil; Bulgarsko rozovo maslo, PGI)
  documented · no share

  nothing on record supports a value; none is invented

  confidence A

• rose absolute
  inferred · no share

  S5 speaks of the essential oil; the absolute is inferred

  confidence C

In teaching accords

• A rose, from four molecules

Films and plates

• S5 · the rose dive: from the field into one bloom, down to one molecule · film
  the rose (its bloom only): Lassi Kaukonen, "Red rose", CC BY 4.0, credited on /credits

Claims register

Every sentence and number the site states about this record, with its status after the 2026-09-27 review.

• verified · CAS 23696-85-7
  documented · the claims register

  PUBCHEM-5366074 · PubChem Compound Summary for CID 5366074, beta-Damascenone · read 2026-09-27

  the CAS is among the PubChem synonyms of CID 5366074 (the house’s molecule table)

  where the site says it: /materials · origin-rose

  confidence A

• verified · which the nose notices at vanishingly small amounts (was: detectable at concentrations as low as 2 parts per trillion. A single molecule in a swimming pool of water.)
  measured · the claims register

  OT-1 · Kreissl et al. (2022). Leibniz-LSB@TUM Odorant Database, Version 1.2 · read 2026-09-30

  the open-questions list: the source given was the PubChem identity page, which has no odour-threshold field; softened by the house’s review (row 2306); the comparative "one of the lowest measured" is itself unsourced until a primary threshold source is filed. the house’s review (2026-09-30): the value is now on record (Molecule beta-damascenone threshold, 0.006 µg/kg in water, OT-1); the comparison “one of the lowest measured” is still not sourced as a comparison (the copy pass, the house’s notes). the house’s review (2026-09-30, the copy pass): the ranking dropped; the value (0.006 µg/kg in water, OT-1) is printed from the Molecule record on the same line

  where the site says it: /materials, “Calabrian Bergamot”

  confidence A

• verified · Odour threshold: 0.006 µg/kg in water (was: Detection threshold 2 parts per trillion)
  measured · the claims register

  OT-1 · Kreissl et al. (2022). Leibniz-LSB@TUM Odorant Database, Version 1.2 · read 2026-09-30

  the open-questions list, the house’s review (2026-09-30): the page line reads the record through its entity marker (beta-damascenone, threshold), so it now shows the filed value, 0.006 µg/kg in water (OT-1, Leibniz-LSB@TUM Odorant Database; Tatsu et al. 2020), in place of “One of the lowest measured”. The old “2 parts per trillion” came from a proprietary compilation (OT-4, a source the house does not use), withdrawn as a source on 2026-09-30 (L2); it is not restored.

  where the site says it: /materials · origin-rose

  confidence A

• verified · which the nose notices at vanishingly small amounts (was: detectable at concentrations as low as 2 parts per trillion. A single molecule in a swimming pool of water. The human nose, correctly understood, is the most sensitive analytical instrument ever produced.)
  measured · the claims register

  OT-1 · Kreissl et al. (2022). Leibniz-LSB@TUM Odorant Database, Version 1.2 · read 2026-09-30

  the open-questions list wording (as row 1311); the nose-as-instrument superlative softened. the house’s review (2026-09-30): the value is now on record (Molecule beta-damascenone threshold, 0.006 µg/kg in water, OT-1); the comparison “one of the lowest measured” is still not sourced as a comparison (the copy pass, the house’s notes). the house’s review (2026-09-30, the copy pass): the ranking “one of the lowest odour thresholds measured” is dropped (not sourced as a comparison); the page prints the record’s value after this sentence through <!--entity:beta-damascenone:threshold--> (0.006 µg/kg in water, OT-1)

  where the site says it: /materials, “Calabrian Bergamot”

  confidence A

• verified · Odour threshold: 0.006 µg/kg in water (was: Detection threshold: 2 parts per trillion)
  measured · the claims register

  OT-1 · Kreissl et al. (2022). Leibniz-LSB@TUM Odorant Database, Version 1.2 · read 2026-09-30

  the open-questions list, the house’s review (2026-09-30): the page line reads the record through its entity marker (beta-damascenone, threshold), so it now shows the filed value, 0.006 µg/kg in water (OT-1, Leibniz-LSB@TUM Odorant Database; Tatsu et al. 2020), in place of “One of the lowest measured”. The old “2 parts per trillion” came from a proprietary compilation (OT-4, a source the house does not use), withdrawn as a source on 2026-09-30 (L2); it is not restored.

  where the site says it: /materials · origin-rose

  confidence A

• verified · C₁₃H₁₈O
  documented · the claims register

  PUBCHEM-5366074 · PubChem Compound Summary for CID 5366074, beta-Damascenone · read 2026-09-27

  the register’s claim column labels it "Formula C₁₃H₁₈O"; the register’s status column says "unverifiable" (the 2026-09-27 sweep had no formula source); PubChem gives MolecularFormula C13H18O for CID 5366074 (the house’s molecule table), so the record is verified

  where the site says it: /materials · origin-rose

  confidence A

Sources

1. PUBCHEM-5366074 · PubChem Compound Summary for CID 5366074, beta-Damascenone ((E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one). National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine; live database, read 2026-09-27 through the PUG REST endpoints listed in the house’s molecules data. pubchem.ncbi.nlm.nih.gov/compound/5366074 · read 2026-09-27 · public domain (US government work, NCBI/NLM); acknowledgement requested , cite PubChem
2. S5 · Huang FC, Horváth G, Molnár P, Turcsi E, Deli J, Schrader J, Sandmann G, Schmidt H, Schwab W. Substrate promiscuity of RdCCD1, a carotenoid cleavage oxygenase from Rosa damascena. Phytochemistry 2009;70:457–464. DOI 10.1016/j.phytochem.2009.01.020. PMID 19264332. doi.org/10.1016/j.phytochem.2009.01.020 · read 2026-09-27 · publisher's terms (no open licence deposited); single facts and short quotes only, under fair use (quoted, not reproduced)
3. OT-1 · Kreissl J, Mall V, Steinhaus P, Steinhaus M. Leibniz-LSB@TUM Odorant Database, Version 1.2. Leibniz Institute for Food Systems Biology at the Technical University of Munich: Freising, Germany, 2022. www.leibniz-lsb.de/en/databases/leibniz-lsbtum-o… · read 2026-09-30 · free of charge; scientific use encouraged with full acknowledgement; systematic download or reproduction needs written permission (quoted, not reproduced)
4. 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
5. ODEUROPA-1 · Lisena, P., Ehrhart, T., Troncy, R. European Olfactory Knowledge Graph (EOKG), Odeuropa project. Zenodo, 2024. doi:10.5281/zenodo.10709703. SPARQL endpoint https://data.odeuropa.eu/repositories/odeuropa, read 2026-09-30. doi.org/10.5281/zenodo.10709703 · read 2026-09-30 · CC BY 4.0

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

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