Station 4 of 13 · Molecule · the record
Bergapten
Bergapten, 5-methoxypsoralen, C12H8O4, is the furocoumarin of bergamot oil that can make skin sensitive to sunlight. Its identity is PubChem’s.
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.
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 (4-methoxyfuro[3,2-g]chromen-7-one) · read 2026-09-30
confidence A
- CAS
- 484-20-8
documented
484-20-8
PUBCHEM-2355 · PubChem Compound Summary for CID 2355, Bergapten (4-methoxyfuro[3,2-g]chromen-7-one) · 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 (4-methoxyfuro[3,2-g]chromen-7-one) · read 2026-09-30
confidence A
- Formula
- C12H8O4
documented
PUBCHEM-2355 · PubChem Compound Summary for CID 2355, Bergapten (4-methoxyfuro[3,2-g]chromen-7-one) · read 2026-09-30
confidence A
- Molecular weight
- 216.19
documented
PUBCHEM-2355 · PubChem Compound Summary for CID 2355, Bergapten (4-methoxyfuro[3,2-g]chromen-7-one) · 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 (4-methoxyfuro[3,2-g]chromen-7-one) · 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 (4-methoxyfuro[3,2-g]chromen-7-one) · read 2026-09-30
confidence A
- InChIKey
- BGEBZHIAGXMEMV-UHFFFAOYSA-N
documented
PUBCHEM-2355 · PubChem Compound Summary for CID 2355, Bergapten (4-methoxyfuro[3,2-g]chromen-7-one) · 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 simulator’s data (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 (4-methoxyfuro[3,2-g]chromen-7-one) · 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
- 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
- bergamot essential oil (olio essenziale di bergamotto)
Sources
- 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 · 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).
- GC-3 · Navarra M, Mannucci C, Delbò M, Calapai G. Citrus bergamia essential oil: from basic research to clinical application. Frontiers in Pharmacology 2015;6:36. DOI 10.3389/fphar.2015.00036. PMID 25784877. PMCID PMC4345801. doi.org/10.3389/fphar.2015.00036 · read 2026-09-30 · CC BY (open access, as the article states); short quotes only, the text is not filed
- IFRA-089 · International Fragrance Association (IFRA). IFRA Standard: Citrus oils and other furocoumarins containing essential oils, Amendment 49 (2020). Geneva: IFRA Standards Library. d3t14p1xronwr0.cloudfront.net/docs/standards/IFR… · read 2026-09-30 · published by IFRA; no reuse licence stated; quoted
- EU-2009-1223 · Regulation (EC) No 1223/2009 of the European Parliament and of the Council of 30 November 2009 on cosmetic products (recast). OJ L 342, 22.12.2009, p. 59. eur-lex.europa.eu/eli/reg/2009/1223/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/bergapten.json · version 3 · updated 2026-09-30 · confidence A