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Cosmetic antioxidants

Caffeic acid phenethyl ester

Also known as Phenethyl caffeate, CAPE, Capeee

CAS 104594-70-9Formula C17H16O4Molar mass 284.31 g/molEC 627-151-0
GHS signal word: Warning. Pictograms: Harmful or irritant 59 suppliers listed
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Caffeic acid phenethyl ester chemical structure, C17H16O4, CAS 104594-70-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
104594-70-9
Formula
C17H16O4
Molar mass
284.31 g/mol
EC number
627-151-0
HS code
291829
Category
Cosmetic antioxidants

What is Caffeic acid phenethyl ester?

Plain description, key identifiers and synonyms

Phenethyl caffeate is an alkyl caffeate ester in which 2-phenylethyl is the alkyl component. It has a role as an antioxidant, an antiviral agent, a metabolite, an antibacterial agent, an antineoplastic agent, an immunomodulator, a neuroprotective agent and an anti-inflammatory agent.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS number
104594-70-9 CAS number cross-checkedOther or deprecated CAS: 100981-80-4, 115610-29-2
EC number
627-151-0
Molecular formula
C17H16O4
UNII
G960R9S5SK
MDL number
MFCD00866470
INCI name
PHENETHYL CAFFEATE
InChIKey
SWUARLUWKZWEBQ-VQHVLOKHSA-N
InChI
InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
Canonical SMILES
O=C(C=Cc1ccc(O)c(O)c1)OCCc1ccccc1
Isomeric SMILES
C1=CC=C(C=C1)CCOC(=O)/C=C/C2=CC(=C(C=C2)O)O

Synonyms

  • Phenethyl caffeate
  • CAPE
  • Capeee
  • 2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • 2-phenylethyl 3-(3,4-dihydroxyphenyl)-2-propenoate
  • CAPE compound
  • 3-(3,4-Dihydroxyphenyl)-2-propenoic Acid, 2-Phenylethyl Ester
  • caffeic acid phenyl ester
  • phenethyl 3-(3,4-dihydroxyphenyl)acrylate
  • Phenylethyl caffeate
  • caffeic acid phenylethyl ester
  • (E)-phenethyl 3-(3,4-dihydroxyphenyl)acrylate
  • Phenethyl caffeate (cape)
  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester
  • 2-Phenylethyl (2e)-3-(3,4-Dihydroxyphenyl)prop-2-Enoate
  • 2-phenylethyl caffeate
  • Phenethyl (E)-3-(3,4-Dihydroxyphenyl)acrylate
  • Caffeic acid phenethyl ester, >=97% (HPLC), powder
  • Phenethyl (E)-caffeate
  • phenethyl 3,4-dihydroxycinnamate
  • phenethy
  • 3-(3,4-Dihydroxyphenyl)-2-propenoic acid 2-phenylethyl ester
  • phenylethylcaffeate
  • Caffeic acid ester
  • Phenethyl Caffeiate
Show all 33 synonyms
  • QAP
  • caffeic acidphenethylester
  • caffeic acid phenethylester
  • caffeic-acid-phenethyl-ester
  • caffeic acid phenylethylester
  • Caffeic acid-phenylethyl ester
  • 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)acrylate
  • Methanone, 1,1'-(1,2-cyclopropanediyl)bis[1-phenyl-

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
284.31 g/molcalc.
Exact mass
284.1049 Dacalc.
LogP (octanol/water)
2.9calc.
Topological polar surface area
66.76 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
21calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.12calc.
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)OCCc1ccccc1

O=C(C=Cc1ccccc1)OCCc1ccccc1

2 rings, 19 atoms.

52 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

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Caffeic acid phenethyl ester suppliers

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All 59 suppliers
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Where suppliers are based

59 suppliers in 10 countries

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Caffeic acid phenethyl ester 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

Cosmetic ingredient, INCI name PHENETHYL CAFFEATE(antioxidant)

Roles

  • anti-inflammatory agent
  • antibacterial agent
  • antimicrobial agent
  • antineoplastic agent
  • antioxidant
  • antiviral agent
  • immunomodulator
  • metabolite
  • neuroprotective agent
  • pharmaceutical
  • protective agent

Functional uses

  • Antioxidant

Cosmetic functions

  • Antioxidant

Pharmacology

Caffeic Acid Phenethyl Ester is the phenethyl alcohol ester of caffeic acid and a bioactive component of honeybee hive propolis, with antineoplastic, cytoprotective and immunomodulating activities. Upon administration, caffeic acid phenethyl ester (CAPE) inhibits the activation of nuclear transcription factor NF-kappa B and may suppress p70S6K and Akt-driven signaling pathways. In addition, CAPE inhibits PDGF-induced proliferation of vascular smooth muscle cells through the activation of p38 mitogen-activated protein kinase (MAPK) and hypoxia-inducible factor (HIF)-1alpha and subsequent induction of heme oxygenase-1 (HO-1).

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

Frequently asked questions

Quick answers about Caffeic acid phenethyl ester, based on the data on this page

What is Caffeic acid phenethyl ester?

Phenethyl caffeate is an alkyl caffeate ester in which 2-phenylethyl is the alkyl component. It has a role as an antioxidant, an antiviral agent, a metabolite, an antibacterial agent, an antineoplastic agent, an immunomodulator, a neuroprotective agent and an anti-inflammatory agent.

What is the CAS number of Caffeic acid phenethyl ester?

The CAS registry number of Caffeic acid phenethyl ester is 104594-70-9. Other or deprecated CAS numbers: 100981-80-4, 115610-29-2.

What is the molecular formula and weight of Caffeic acid phenethyl ester?

The molecular formula of Caffeic acid phenethyl ester is C17H16O4 and its molar mass is 284.31 g/mol.

What is Caffeic acid phenethyl ester used for?

Known uses and roles of Caffeic acid phenethyl ester include antioxidants in cosmetics and personal care, anti-inflammatory agent, antibacterial agent, antimicrobial agent, antineoplastic agent and 7 more.

Is Caffeic acid phenethyl ester hazardous?

Caffeic acid phenethyl ester carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Caffeic acid phenethyl ester?

Caffeic acid phenethyl ester 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 acid phenethyl ester?

CompoundList lists 59 suppliers of Caffeic acid phenethyl ester in China, United States, United Kingdom, Canada and 6 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Caffeic acid phenethyl ester?

Suppliers quote Caffeic acid phenethyl ester 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 acid phenethyl ester

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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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