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Screening compounds

Caffeic anhydride

Also known as caffeic acid anhydride, (E)-3-(3,4-Dihydroxyphenyl)acrylic anhydride

CAS 854237-32-4Formula C18H14O7Molar mass 342.30 g/mol
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Caffeic anhydride chemical structure, C18H14O7, CAS 854237-32-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
854237-32-4
Formula
C18H14O7
Molar mass
342.30 g/mol
HS code
291829
Category
Screening compounds

What is Caffeic anhydride?

Plain description, key identifiers and synonyms

Caffeic anhydride is a chemical substance with the molecular formula C18H14O7 and a molar mass of 342.30 g/mol. Its CAS registry number is 854237-32-4. The IUPAC name is [(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS number
854237-32-4
Molecular formula
C18H14O7
InChIKey
QDPOOGQUCJJZAO-FCXRPNKRSA-N
InChI
InChI=1S/C18H14O7/c19-13-5-1-11(9-15(13)21)3-7-17(23)25-18(24)8-4-12-2-6-14(20)16(22)10-12/h1-10,19-22H/b7-3+,8-4+
Canonical SMILES
O=C(C=Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1
Isomeric SMILES
C1=CC(=C(C=C1/C=C/C(=O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O

Synonyms

  • caffeic acid anhydride
  • (E)-3-(3,4-Dihydroxyphenyl)acrylic anhydride

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
342.30 g/molcalc.
Exact mass
342.074 Dacalc.
LogP (octanol/water)
2.31calc.
Topological polar surface area
124.3 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
4calc.
Heavy atoms
25calc.
Rings
2calc.
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=C(C=Cc1ccccc1)OC(=O)C=Cc1ccccc1

O=C(C=Cc1ccccc1)OC(=O)C=Cc1ccccc1

2 rings, 21 atoms.

7 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.

Caffeic anhydride suppliers

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

Frequently asked questions

Quick answers about Caffeic anhydride, based on the data on this page

What is Caffeic anhydride?

Caffeic anhydride is a chemical substance with the molecular formula C18H14O7 and a molar mass of 342.30 g/mol. Its CAS registry number is 854237-32-4. The IUPAC name is [(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.

What is the CAS number of Caffeic anhydride?

The CAS registry number of Caffeic anhydride is 854237-32-4.

What is the molecular formula and weight of Caffeic anhydride?

The molecular formula of Caffeic anhydride is C18H14O7 and its molar mass is 342.30 g/mol.

What is Caffeic anhydride used for?

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

Is Caffeic anhydride hazardous?

No GHS hazard classification for Caffeic anhydride 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 Caffeic anhydride?

Caffeic anhydride 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 Caffeic anhydride?

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What is the price of Caffeic anhydride?

Suppliers quote Caffeic anhydride 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 Caffeic anhydride

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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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