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Tropolone chemical structure, C7H6O2, CAS 533-75-5
2D chemical structure

Key facts

What buyers check first

CAS number
533-75-5
Formula
C7H6O2
Molar mass
122.12 g/mol
EC number
208-577-2
HS code
290719
Category
Fungicides

What is Tropolone?

Plain description, key identifiers and synonyms

Tropolone is a cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii. It has a role as a fungicide, a toxin and a bacterial metabolite. It is an alpha-hydroxy ketone, an enol and a cyclic ketone. It derives from a hydride of a cyclohepta-1,3,5-triene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-hydroxycyclohepta-2,4,6-trien-1-one
CAS number
533-75-5 CAS number cross-checked
EC number
208-577-2
Molecular formula
C7H6O2
UNII
7L6DL16P1T
MDL number
MFCD00004158
INCI name
TROPOLONE
InChIKey
MDYOLVRUBBJPFM-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
SMILES (canonical and isomeric)
C1=CC=C(C(=O)C=C1)O

Synonyms

  • 2-Hydroxycyclohepta-2,4,6-trienone
  • Purpurocatechol
  • 2-Hydroxytropone
  • 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-
  • 2-hydroxycyclohepta-2,4,6-trien-1-one
  • 2-Hydroxy-2,4,6-cycloheptatrien-1-one
  • 2-Hydroxy-2,4,6-cycloheptatrienone
  • 2-Hydroxy-2,4,6-cycloheptatriene-1-one
  • Tropolone, purum, >=98.0% (GC)
  • 2-hydroxy-2,4,6-cycloheptatrien -1-one
  • tropolon
  • Tropomyosins
  • Tropolone, 98%
  • alpha-tropolone
  • 4-08-00-00159 (Beilstein Handbook Reference)
  • Tropolone (NSC 89303)
  • (2E,4Z,6Z)-2-hyd
  • 2-Hydroxy-cyclohepta-2,4,6-trienone
  • 2,6-Cycloheptatrien-1-one, 2-hydroxy-
  • 1,4,6-Cycloheptatrien-1-one, 2-hydroxy-

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
122.12 g/molcalc.
Exact mass
122.0368 Dacalc.
LogP (octanol/water)
0.75calc.
Topological polar surface area
37.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
9calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)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=c1cccccc1

O=c1cccccc1

1 ring, 8 atoms, the Tropone ring system.

293 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H314Causes severe skin burns and eye damage.
  • H317May cause an allergic skin reaction.
  • H318Causes serious eye damage.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (21)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P330 + P331If swallowed: Rinse mouth. Do not induce vomiting.
  • P302 + P352If on skin: Wash with plenty of water.
  • P302 + P361 + P354If on skin: Take off immediately all contaminated clothing. Immediately rinse with water for several minutes.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P317Get medical help.
  • 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.
  • P363Wash contaminated clothing before reuse.
  • P391Collect spillage.
  • P405Store locked up.
  • 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

Tropolone suppliers

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Tropolone 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

Cosmetic ingredient, INCI name TROPOLONE(skin conditioning)

Roles

  • antifungal agent
  • antimicrobial agent
  • bacterial metabolite
  • fungicide
  • metabolite
  • pesticide
  • poison
  • prokaryotic metabolite
  • toxin

Functional uses

  • Softener and conditioner

Cosmetic functions

  • Skin conditioning

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2907.19Indicative HS code

Monophenols, other

World exports in 2024
$671M
+2.2% vs 2023, imports $781M
2019 to 2024
Top exporters
  1. China20.1%
  2. Germany14.4%
  3. Switzerland * partner reported11.1%
Top importers
  1. China16.3%
  2. Germany10.1%
  3. South Korea8.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Tropolone?

Tropolone is a cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii. It has a role as a fungicide, a toxin and a bacterial metabolite. It is an alpha-hydroxy ketone, an enol and a cyclic ketone.

What is the CAS number of Tropolone?

The CAS registry number of Tropolone is 533-75-5.

What is the molecular formula and weight of Tropolone?

The molecular formula of Tropolone is C7H6O2 and its molar mass is 122.12 g/mol.

What is Tropolone used for?

Known uses and roles of Tropolone include skin conditioning agents in cosmetics and personal care, fungicides in agriculture and crop protection, antifungal agent, antimicrobial agent, bacterial metabolite and 8 more.

Is Tropolone hazardous?

Tropolone carries the GHS signal word "Danger". Main hazards: causes severe skin burns and eye damage, may cause an allergic skin reaction, causes serious eye damage. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Tropolone?

Tropolone is usually classified under HS code 290719 (Monophenols, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Tropolone?

CompoundList lists 57 suppliers of Tropolone in China, United States, United Kingdom, Australia and 8 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Tropolone?

Suppliers quote Tropolone 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 Tropolone

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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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