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Impurities and reference standards

Phthalide

Also known as 1(3H)-Isobenzofuranone, 1-Phthalanone, 2-Benzofuran-1(3H)-one

CAS 87-41-2Formula C8H6O2Molar mass 134.13 g/molEC 201-744-0
GHS signal word: Warning. Pictograms: Harmful or irritant 46 suppliers listed
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Phthalide chemical structure, C8H6O2, CAS 87-41-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
87-41-2
Formula
C8H6O2
Molar mass
134.13 g/mol
EC number
201-744-0
HS code
293220
Category
Impurities and reference standards

What is Phthalide?

Plain description, key identifiers and synonyms

2-benzofuran-1(3H)-one is a gamma-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group. It is a gamma-lactone and a member of 2-benzofurans.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3H-2-benzofuran-1-one
CAS number
87-41-2 CAS number cross-checkedOther or deprecated CAS: 591234-45-6
EC number
201-744-0
Molecular formula
C8H6O2
UNII
8VV922U86J
MDL number
MFCD00005906
InChIKey
WNZQDUSMALZDQF-UHFFFAOYSA-N
InChI
InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2
SMILES (canonical and isomeric)
C1C2=CC=CC=C2C(=O)O1

Synonyms

  • 1(3H)-Isobenzofuranone
  • 1-Phthalanone
  • 2-Benzofuran-1(3H)-one
  • Phthalolactone
  • 3H-2-benzofuran-1-one
  • 3H-isobenzofuran-1-one
  • 1,3-dihydro-2-benzofuran-1-one
  • 2-Hydroxymethylbenzoic acid, gamma-lactone
  • 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-
  • 4,5,6,7-Tetrachloro-1(3H)-isobenzofuranone
  • Bayer 96610
  • Rabcide
  • Isobenzofuran-1(3H)-one
  • Isobenzofuranone
  • 1-Isobenzofuranone
  • Phthalanone
  • Butylphthalide Impurity 4
  • Butylphthalide Impurity 15
  • 5-17-10-00007 (Beilstein Handbook Reference)
  • Phthalide, 98%
  • 3-hydroisobenzofuran-1-one
  • 1,3-dihydroisobenzofuran-1-one
  • Chlortalidone impurity 7
  • isobenzofuran-1-one
  • (3H)-isobenzofuranone
Show all 33 synonyms
  • 1H-Isobenzofuran-3-one
  • 1-(3h)-isobenzofuranone
  • isobenzofuran-1 (3H)-one
  • 2-benzofuran-1(3 H)-one
  • Phthalide, analytical standard
  • 2-Benzofuran-1(3H)-one #
  • 3-oxo-1,3-dihydro-isobenzofuran
  • Phthalide, butylphthalide impurity

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
134.13 g/molcalc.
Exact mass
134.0368 Dacalc.
LogP (octanol/water)
1.36calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
10calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.13calc.
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=C1OCc2ccccc21

O=C1OCc2ccccc21

2 rings, 10 atoms. This chemical is the scaffold itself.

780 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

  • H319Causes serious eye irritation.
Precautionary statements (4)
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P337 + P317If eye irritation persists: Get medical help.

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

Phthalide suppliers

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

All 46 suppliers
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Where suppliers are based

46 suppliers in 9 countries

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Phthalide 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

Functional uses

  • Flavouring and nutrient
  • Fragrance

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Phthalide 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 Phthalide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Phthalide?

2-benzofuran-1(3H)-one is a gamma-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group. It is a gamma-lactone and a member of 2-benzofurans.

What is the CAS number of Phthalide?

The CAS registry number of Phthalide is 87-41-2. Other or deprecated CAS numbers: 591234-45-6.

What is the molecular formula and weight of Phthalide?

The molecular formula of Phthalide is C8H6O2 and its molar mass is 134.13 g/mol.

What is Phthalide used for?

Known uses and roles of Phthalide include flavouring and nutrient and fragrance.

Is Phthalide hazardous?

Phthalide carries the GHS signal word "Warning". Main hazards: causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Phthalide?

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

Where can I buy Phthalide?

CompoundList lists 46 suppliers of Phthalide in China, United States, India, Canada and 5 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Phthalide in India?

5 suppliers in India list Phthalide on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Phthalide?

Suppliers quote Phthalide 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 Phthalide

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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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