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Screening compounds

Bergamottin

Also known as Bergamotine, Bergaptin, 5-Geranoxypsoralen

CAS 7380-40-7Formula C21H22O4Molar mass 338.40 g/molEC 639-137-1
GHS signal word: Warning. Pictograms: Harmful or irritant 7 suppliers listed
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Bergamottin chemical structure, C21H22O4, CAS 7380-40-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
7380-40-7
Formula
C21H22O4
Molar mass
338.40 g/mol
EC number
639-137-1
HS code
293220
Category
Screening compounds

What is Bergamottin?

Plain description, key identifiers and synonyms

Bergomottin is a furanocoumarin. It has a role as a metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
CAS number
7380-40-7 CAS number cross-checkedOther or deprecated CAS: 482-46-2
EC numbers
639-137-1, 866-344-6
Molecular formula
C21H22O4
UNII
JMU611YFRB
MDL number
MFCD00017409
InChIKey
DBMJZOMNXBSRED-OQLLNIDSSA-N
InChI
InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
Canonical SMILES
CC(C)=CCCC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12
Isomeric SMILES
CC(=CCC/C(=C/COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C)C

Synonyms

  • Bergamotine
  • Bergaptin
  • 5-Geranoxypsoralen
  • Bergamotin
  • 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
  • 4-{[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one
  • 7H-furo(3,2-g)(1)benzopyran-7-one, 4-(((2E)-3,7-dimethyl-2,6-octadien-1-yl)oxy)-
  • 4-((2E)-3,7-dimethylocta-2,6-dienoxy)furo(3,2-g)chromen-7-one
  • 4-(((2E)-3,7-dimethylocta-2,6-dien-1-yl)oxy)-7H-furo(3,2-g)chromen-7-one
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-
  • 5-(((2Z)-3,7-dimethylocta-2,6-dien-1-yl)oxy)-2H-furo(3,2-g)chromen-2-one
  • 5-Geranyloxypsoralen
  • Bergomottin
  • 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one
  • (E)-4-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one
  • 4-Geranyloxypsoralen
  • Bergamottin (Standard)
  • Bergamottin, analytical standard
  • 4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
  • 5-Geranoxypsoralen, Bergamotine, Bergaptin
  • 4-([(2E)-3,7-dimethyl-2,6-octadienyl]oxy)-7h-furo[3,2-g]chromen-7-one
  • 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((3,7-dimethyl-2,6-octadienyl)oxy)-, (E)-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
338.40 g/molcalc.
Exact mass
338.1518 Dacalc.
LogP (octanol/water)
5.61calc.
Topological polar surface area
52.58 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1ccc2cc3ccoc3cc2o1

O=c1ccc2cc3ccoc3cc2o1

3 rings, 14 atoms, the Psoralen ring system.

431 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H317May cause an allergic skin reaction.
Precautionary statements (8)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Bergamottin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 7 suppliers
7 of 7 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

7 suppliers in 3 countries

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Bergamottin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Bergamottin is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Bergamottin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Bergamottin, based on the data on this page

What is Bergamottin?

Bergomottin is a furanocoumarin. It has a role as a metabolite.

What is the CAS number of Bergamottin?

The CAS registry number of Bergamottin is 7380-40-7. Other or deprecated CAS numbers: 482-46-2.

What is the molecular formula and weight of Bergamottin?

The molecular formula of Bergamottin is C21H22O4 and its molar mass is 338.40 g/mol.

What is Bergamottin used for?

Known uses and roles of Bergamottin include building blocks in research and laboratory, screening compounds in research and laboratory and metabolite.

Is Bergamottin hazardous?

Bergamottin carries the GHS signal word "Warning". Main hazards: may cause an allergic skin reaction. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Bergamottin?

Bergamottin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bergamottin?

CompoundList lists 7 suppliers of Bergamottin in China, France and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Bergamottin?

Suppliers quote Bergamottin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Bergamottin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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