Bergapten

A review of the oil places it in the fraction that does not evaporate and says that, for safety, it and the other phototoxic components should be removed, giving a furocoumarin-free oil. No share is given here.

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 Bergapten molecule

A computed 3D conformer , modeled, not a photograph of a molecule. PubChem CID 2355.

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 Bergapten (CID 2355, conformer 0000093300000001): the shape a computer model gives the molecule, not an experimental structure and not a picture of a real molecule. Ball and stick: 12 carbon, 4 oxygen; the 8 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): 23 cm tall, 35 cm across

Atoms

12 carbon, 4 oxygen · 18 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 2355 (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 55 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

Bergapten

documented

Bergapten

PUBCHEM-2355 · PubChem Compound Summary for CID 2355, Bergapten · read 2026-09-30

confidence A

CAS

484-20-8

documented

484-20-8

PUBCHEM-2355 · PubChem Compound Summary for CID 2355, Bergapten · read 2026-09-30

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

confidence A

PubChem CID

2355

documented

PUBCHEM-2355 · PubChem Compound Summary for CID 2355, Bergapten · read 2026-09-30

confidence A

Formula

C12H8O4

documented

PUBCHEM-2355 · PubChem Compound Summary for CID 2355, Bergapten · read 2026-09-30

confidence A

Molecular weight

216.19

documented

PUBCHEM-2355 · PubChem Compound Summary for CID 2355, Bergapten · read 2026-09-30

g/mol, as PubChem states it

confidence A

IUPAC name

4-methoxyfuro[3,2-g]chromen-7-one

documented

PUBCHEM-2355 · PubChem Compound Summary for CID 2355, Bergapten · read 2026-09-30

confidence A

SMILES

COC1=C2C=CC(=O)OC2=CC3=C1C=CO3

documented

PUBCHEM-2355 · PubChem Compound Summary for CID 2355, Bergapten · read 2026-09-30

confidence A

InChIKey

BGEBZHIAGXMEMV-UHFFFAOYSA-N

documented

PUBCHEM-2355 · PubChem Compound Summary for CID 2355, Bergapten · read 2026-09-30

confidence A

Odour threshold

withheld: not on record

withheld

no odour-threshold measurement is filed: OT-1 has no entry and no study was found; none is implied (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 bergapten

Regulation

• IFRA Standard: Citrus oils and other furocoumarins containing essential oils
• Regulation (EC) No 1223/2009 on cosmetic products

documented

IFRA-089, EU-2009-1223: each record above quotes its entry.

3D structure

PubChem computed 3D conformer · 24 atoms, 26 bonds

modeled

PUBCHEM-2355 · PubChem Compound Summary for CID 2355, Bergapten · read 2026-09-30

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

confidence A

Wikidata

Q414779

documented

P662 PubChem CID: 2355

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

the item states PubChem CID 2355 (P662) and the record’s InChIKey (P235); found by the statement search haswbstatement:P662=2355

confidence A

Occurs in

• bergamot essential oil (olio essenziale di bergamotto)
  documented · no share

  in the oil’s non-volatile fraction; the review’s “about 0.2%” is not shown

  confidence B

Sources

1. PUBCHEM-2355 · PubChem Compound Summary for CID 2355, Bergapten (4-methoxyfuro[3,2-g]chromen-7-one). 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/bergapten/cids/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2355/property/MolecularFormula,MolecularWeight,IUPACName,Title,SMILES,InChIKey/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2355/synonyms/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2355/SDF?record_type=3d · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/484-20-8/cids/JSON. pubchem.ncbi.nlm.nih.gov/compound/2355 · read 2026-09-30 · public domain (US government work, NCBI/NLM); acknowledgement requested , cite PubChem
2. 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/bergapten.json · version 5 · updated 2026-10-01 · confidence A