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Heterocyclic building blocks

Benzalphthalide, (E)-

Also known as trans-3-Benzylidenephthalide, trans-3-(Phenylmethylene)phthalide, 1(3H)-Isobenzofuranone, 3-(phenylmethylene)-, (3E)-

CAS 4767-55-9Formula C15H10O2Molar mass 222.24 g/molEC 209-388-8
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Benzalphthalide, (E)- chemical structure, C15H10O2, CAS 4767-55-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4767-55-9
Formula
C15H10O2
Molar mass
222.24 g/mol
EC number
209-388-8
HS code
293220
Category
Heterocyclic building blocks

What is Benzalphthalide, (E)-?

Plain description, key identifiers and synonyms

Benzalphthalide, (E)- is a chemical substance with the molecular formula C15H10O2 and a molar mass of 222.24 g/mol. Its CAS registry number is 4767-55-9. The IUPAC name is (3E)-3-benzylidene-2-benzofuran-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3E)-3-benzylidene-2-benzofuran-1-one
CAS number
4767-55-9Other or deprecated CAS: 575-61-1
EC number
209-388-8
Molecular formula
C15H10O2
UNII
C9E8S3AGYQ
InChIKey
YRTPZXMEBGTPLM-GXDHUFHOSA-N
InChI
InChI=1S/C15H10O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-10H/b14-10+
Canonical SMILES
O=C1OC(=Cc2ccccc2)c2ccccc21
Isomeric SMILES
C1=CC=C(C=C1)/C=C/2\C3=CC=CC=C3C(=O)O2

Synonyms

  • trans-3-Benzylidenephthalide
  • trans-3-(Phenylmethylene)phthalide
  • 1(3H)-Isobenzofuranone, 3-(phenylmethylene)-, (3E)-
  • (E)-3-Benzylideneisobenzofuran-1(3H)-one
  • (E)-benzalphthalide
  • Escalol 547
  • 3-(Phenylmethylene)-1(3H)-isobenzofuranone
  • (e)-3-benzylidenephthalide
  • 1(3H)-Isobenzofuranane, 3-(phenylmethylene)-
  • 5-17-10-00577 (Beilstein Handbook Reference)
  • 3-[1-Phenyl-meth-(E)-ylidene]-3H-isobenzofuran-1-one

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
222.24 g/molcalc.
Exact mass
222.0681 Dacalc.
LogP (octanol/water)
3.36calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
17calc.
Rings
3calc.
Aromatic rings
2calc.
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=C1OC(=Cc2ccccc2)c2ccccc21

O=C1OC(=Cc2ccccc2)c2ccccc21

3 rings, 17 atoms, the Benzylidenephthalide ring system.

61 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.

Benzalphthalide, (E)- suppliers

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

Frequently asked questions

Quick answers about Benzalphthalide, (E)-, based on the data on this page

What is Benzalphthalide, (E)-?

Benzalphthalide, (E)- is a chemical substance with the molecular formula C15H10O2 and a molar mass of 222.24 g/mol. Its CAS registry number is 4767-55-9. The IUPAC name is (3E)-3-benzylidene-2-benzofuran-1-one.

What is the CAS number of Benzalphthalide, (E)-?

The CAS registry number of Benzalphthalide, (E)- is 4767-55-9. Other or deprecated CAS numbers: 575-61-1.

What is the molecular formula and weight of Benzalphthalide, (E)-?

The molecular formula of Benzalphthalide, (E)- is C15H10O2 and its molar mass is 222.24 g/mol.

What is Benzalphthalide, (E)- used for?

Known uses and roles of Benzalphthalide, (E)- include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Benzalphthalide, (E)- hazardous?

No GHS hazard classification for Benzalphthalide, (E)- 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 Benzalphthalide, (E)-?

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

Where can I buy Benzalphthalide, (E)-?

Post a free request on CompoundList and suppliers of Benzalphthalide, (E)- will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Benzalphthalide, (E)-?

Suppliers quote Benzalphthalide, (E)- 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 Benzalphthalide, (E)-

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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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