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Heterocyclic building blocks

Phellolactone

Also known as [(3R,4R)-3,4-dihydroxy-5-oxooxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate, ((3R,4R)-3,4-Dihydroxy-5-oxotetrahydrofuran-3-yl)methyl 4-hydroxy-3-methoxybenzoate

CAS 1190897-23-4Formula C13H14O8Molar mass 298.25 g/mol
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Phellolactone chemical structure, C13H14O8, CAS 1190897-23-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1190897-23-4
Formula
C13H14O8
Molar mass
298.25 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Phellolactone?

Plain description, key identifiers and synonyms

Phellolactone is a chemical substance with the molecular formula C13H14O8 and a molar mass of 298.25 g/mol. Its CAS registry number is 1190897-23-4. The IUPAC name is [(3R,4R)-3,4-dihydroxy-5-oxooxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3R,4R)-3,4-dihydroxy-5-oxooxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate
CAS number
1190897-23-4
Molecular formula
C13H14O8
InChIKey
XDFVRGIAOTYYJE-GXFFZTMASA-N
InChI
InChI=1S/C13H14O8/c1-19-9-4-7(2-3-8(9)14)11(16)20-5-13(18)6-21-12(17)10(13)15/h2-4,10,14-15,18H,5-6H2,1H3/t10-,13+/m0/s1
Canonical SMILES
COc1cc(C(=O)OCC2(O)COC(=O)C2O)ccc1O
Isomeric SMILES
COC1=C(C=CC(=C1)C(=O)OC[C@]2(COC(=O)[C@@H]2O)O)O

Synonyms

  • [(3R,4R)-3,4-dihydroxy-5-oxooxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate
  • ((3R,4R)-3,4-Dihydroxy-5-oxotetrahydrofuran-3-yl)methyl 4-hydroxy-3-methoxybenzoate

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
298.25 g/molcalc.
Exact mass
298.0689 Dacalc.
LogP (octanol/water)
-0.79calc.
Topological polar surface area
122.5 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
21calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
2calc.
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=C1CC(COC(=O)c2ccccc2)CO1

O=C1CC(COC(=O)c2ccccc2)CO1

2 rings, 16 atoms.

1 other chemical 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.

Phellolactone suppliers

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Phellolactone 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

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 Phellolactone 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 Phellolactone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Phellolactone?

Phellolactone is a chemical substance with the molecular formula C13H14O8 and a molar mass of 298.25 g/mol. Its CAS registry number is 1190897-23-4. The IUPAC name is [(3R,4R)-3,4-dihydroxy-5-oxooxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate.

What is the CAS number of Phellolactone?

The CAS registry number of Phellolactone is 1190897-23-4.

What is the molecular formula and weight of Phellolactone?

The molecular formula of Phellolactone is C13H14O8 and its molar mass is 298.25 g/mol.

What is Phellolactone used for?

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

Is Phellolactone hazardous?

No GHS hazard classification for Phellolactone 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 Phellolactone?

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

Where can I buy Phellolactone?

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

What is the price of Phellolactone?

Suppliers quote Phellolactone 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 Phellolactone

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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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