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Aromatic building blocks

Puberulic acid

Also known as 4,5,6-trihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid, Puberlic acid, 3,4,6-trihydroxy-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid

CAS 99-23-0Formula C8H6O6Molar mass 198.13 g/molEC 186-698-9
GHS signal word: Danger. Pictograms: Serious health hazard 1 supplier listed
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Puberulic acid chemical structure, C8H6O6, CAS 99-23-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
99-23-0
Formula
C8H6O6
Molar mass
198.13 g/mol
EC number
186-698-9
HS code
291829
Category
Aromatic building blocks

What is Puberulic acid?

Plain description, key identifiers and synonyms

puberulic acid has been reported in Penicillium aurantiogriseum and Penicillium puberulum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4,5,6-trihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
CAS number
99-23-0 CAS number cross-checked
EC number
186-698-9
Molecular formula
C8H6O6
UNII
456JC9FRVK
InChIKey
RRDGXYZZWSIADF-UHFFFAOYSA-N
InChI
InChI=1S/C8H6O6/c9-4-1-3(8(13)14)2-5(10)7(12)6(4)11/h1-2H,(H,13,14)(H3,9,10,11,12)
SMILES (canonical and isomeric)
C1=C(C=C(C(=C(C1=O)O)O)O)C(=O)O

Synonyms

  • 4,5,6-trihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
  • Puberlic acid
  • 3,4,6-trihydroxy-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid
  • 3,4,6-Trihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid
  • 1,3,6-Cycloheptatriene-1-carboxylic acid, 3,4,6-trihydroxy-5-oxo-
  • 3,4,6-Trihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid #

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
198.13 g/molcalc.
Exact mass
198.0164 Dacalc.
LogP (octanol/water)
-0.14calc.
Topological polar surface area
115.1 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
14calc.
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
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H372Causes damage to organs through prolonged or repeated exposure.
Precautionary statements (5)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P319Get medical help if you feel unwell.
  • 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

Puberulic acid suppliers

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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

1 supplier in 1 country

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Puberulic acid price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

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 Puberulic acid is traded under.

HS 2918.29Indicative HS code

Carboxylic acids, (with phenol function but without other oxygen function), their anhydrides, halides…

World exports in 2024
$861M
+0.9% vs 2023, imports $892M
2019 to 2024
Top exporters
  1. China30.5%
  2. South Korea18.3%
  3. Switzerland * partner reported13.3%
Top importers
  1. United States14.7%
  2. Germany13.3%
  3. Japan10.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Puberulic acid, based on the data on this page

What is Puberulic acid?

puberulic acid has been reported in Penicillium aurantiogriseum and Penicillium puberulum.

What is the CAS number of Puberulic acid?

The CAS registry number of Puberulic acid is 99-23-0.

What is the molecular formula and weight of Puberulic acid?

The molecular formula of Puberulic acid is C8H6O6 and its molar mass is 198.13 g/mol.

What is Puberulic acid used for?

Known uses and roles of Puberulic acid include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Puberulic acid hazardous?

Puberulic acid carries the GHS signal word "Danger". Main hazards: causes damage to organs through prolonged or repeated exposure. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Puberulic acid?

Puberulic acid is usually classified under HS code 291829 (Carboxylic acids with phenol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Puberulic acid?

CompoundList lists 1 supplier of Puberulic acid in Germany. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Puberulic acid?

Suppliers quote Puberulic acid 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 Puberulic acid

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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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