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Aromatic building blocks

Phomalone

Also known as 1-Butanone, 1-(2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl)-, 1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]butan-1-one, 1-(2,4-Dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl)butan-1-one

CAS 159768-89-5Formula C13H18O5Molar mass 254.28 g/mol
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Phomalone chemical structure, C13H18O5, CAS 159768-89-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
159768-89-5
Formula
C13H18O5
Molar mass
254.28 g/mol
HS code
291450
Category
Aromatic building blocks

What is Phomalone?

Plain description, key identifiers and synonyms

Phomalone is an aromatic ketone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]butan-1-one
CAS number
159768-89-5 CAS number cross-checked
Molecular formula
C13H18O5
InChIKey
PTBQWWHUOMDVFS-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O5/c1-3-4-9(15)12-11(18-2)7-10(16)8(5-6-14)13(12)17/h7,14,16-17H,3-6H2,1-2H3
SMILES (canonical and isomeric)
CCCC(=O)C1=C(C=C(C(=C1O)CCO)O)OC

Synonyms

  • 1-Butanone, 1-(2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl)-
  • 1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]butan-1-one
  • 1-(2,4-Dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl)butan-1-one
  • Phomalone, >=95% (LC/MS-UV)
  • 1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]-1-butanone

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
254.28 g/molcalc.
Exact mass
254.1154 Dacalc.
LogP (octanol/water)
1.62calc.
Topological polar surface area
86.99 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
18calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Phomalone suppliers

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Phomalone price

Indicative price range per kg from live supplier offers

No published prices right now

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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 Phomalone is traded under.

HS 2914.50Indicative HS code

Ketone-phenols and ketones with other oxygen function

World exports in 2024
$438M
+10.9% vs 2023, imports $420M
2019 to 2024
Top exporters
  1. China50.5%
  2. India * partner reported11.6%
  3. United States11.3%
Top importers
  1. United States20.8%
  2. Germany10.0%
  3. Netherlands8.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Phomalone?

Phomalone is an aromatic ketone.

What is the CAS number of Phomalone?

The CAS registry number of Phomalone is 159768-89-5.

What is the molecular formula and weight of Phomalone?

The molecular formula of Phomalone is C13H18O5 and its molar mass is 254.28 g/mol.

What is Phomalone used for?

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

Is Phomalone hazardous?

No GHS hazard classification for Phomalone is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Phomalone?

Phomalone is usually classified under HS code 291450 (Ketone-phenols and ketones with other oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phomalone?

Post a free request on CompoundList and suppliers of Phomalone will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Phomalone?

Suppliers quote Phomalone 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 Phomalone

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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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