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Cosmetic antioxidants

Avenanthramide B

Also known as Avenanthramide 1, Avenanthramide 2F, Avenanthramide BF

CAS 108605-69-2Formula C17H15NO6Molar mass 329.31 g/molEC 806-392-7
GHS signal word: Warning. Pictograms: Harmful or irritant
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Avenanthramide B chemical structure, C17H15NO6, CAS 108605-69-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
108605-69-2
Formula
C17H15NO6
Molar mass
329.31 g/mol
EC number
806-392-7
HS code
292429
Category
Cosmetic antioxidants

What is Avenanthramide B?

Plain description, key identifiers and synonyms

Avenanthramide B is a monohydroxybenzoic acid resulting from the formal condensation of the carboxy group of ferulic acid with the amino group of 2-amino-5-hydroxybenzoic acid. It is an oat phytoalexin produced in response to pathogen attack and elicitation. It has a role as a phytoalexin, an antineoplastic agent and an apoptosis inducer. It is a secondary carboxamide, a member of cinnamamides, a monomethoxybenzene, a monohydroxybenzoic acid, a member of phenols and an amidobenzoic acid. It is functionally related to a trans-ferulic acid. It is a conjugate acid of an avenanthramide B(1-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CAS number
108605-69-2 CAS number cross-checked
EC number
806-392-7
Molecular formula
C17H15NO6
UNII
F8BQ5730IL
INCI name
AVENANTHRAMIDES
InChIKey
JXFZHMCSCYADIX-XVNBXDOJSA-N
InChI
InChI=1S/C17H15NO6/c1-24-15-8-10(2-6-14(15)20)3-7-16(21)18-13-5-4-11(19)9-12(13)17(22)23/h2-9,19-20H,1H3,(H,18,21)(H,22,23)/b7-3+
Canonical SMILES
COc1cc(C=CC(=O)Nc2ccc(O)cc2C(=O)O)ccc1O
Isomeric SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NC2=C(C=C(C=C2)O)C(=O)O)O

Synonyms

  • Avenanthramide 1
  • Avenanthramide 2F
  • Avenanthramide BF
  • N-feruloyl-5-hydroxyanthranilic acid
  • Benzoic acid, 5-hydroxy-2-(((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl)amino)-
  • 5-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
  • Benzoic acid, 5-hydroxy-2-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]amino]-
  • N-(4'-hydroxy-3'-methoxy-(E)-cinnamoyl)-5-hydroxyanthranilic acid
  • N-[4'-hydroxy-3'-methoxy-(E)-cinnamoyl]-5-hydroxyanthranilic acid
  • 5-hydroxy-2-(((E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl)amino)benzoic acid
  • (Z)-N-Feruloyl-5-hydroxyanthranilic acid
  • 5-hydroxy-2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]benzoic acid
  • 5-Hydroxy-2-(((2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl)amino)benzoic acid
  • (E)-5-Hydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)acrylamido)benzoic acid
  • Avenanthramide B, analytical standard
  • N-(4'-hydroxy-3'methoxy-(e)-cinnamoyl)-5-hydroxyanthranilic acid
  • 5-hydroxy-2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]amino}benzoic acid
  • 5-hydroxy-2-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}benzoic acid

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
329.31 g/molcalc.
Exact mass
329.0899 Dacalc.
LogP (octanol/water)
2.46calc.
Topological polar surface area
116.1 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.06calc.
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)Nc1ccccc1

O=C(C=Cc1ccccc1)Nc1ccccc1

2 rings, 17 atoms.

1,928 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

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • 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

Avenanthramide B suppliers

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Avenanthramide B 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 AVENANTHRAMIDES(antioxidant, hair conditioning, skin protecting)

Roles

  • antineoplastic agent
  • apoptosis inducer
  • eukaryotic metabolite
  • metabolite
  • pharmaceutical
  • phytoalexin
  • phytotoxin
  • plant metabolite
  • poison
  • toxin

Cosmetic functions

  • Antioxidant
  • Hair conditioning
  • Skin protecting

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 Avenanthramide B is traded under.

HS 2924.29Indicative HS code

Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$5.69B
−5.1% vs 2023, imports $5.8B
2019 to 2024
Top exporters
  1. China32.3%
  2. Switzerland * partner reported13.6%
  3. Norway * partner reported12.8%
Top importers
  1. United States15.9%
  2. Ireland15.8%
  3. Germany11.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Avenanthramide B is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Avenanthramide B, based on the data on this page

What is Avenanthramide B?

Avenanthramide B is a monohydroxybenzoic acid resulting from the formal condensation of the carboxy group of ferulic acid with the amino group of 2-amino-5-hydroxybenzoic acid. It is an oat phytoalexin produced in response to pathogen attack and elicitation.

What is the CAS number of Avenanthramide B?

The CAS registry number of Avenanthramide B is 108605-69-2.

What is the molecular formula and weight of Avenanthramide B?

The molecular formula of Avenanthramide B is C17H15NO6 and its molar mass is 329.31 g/mol.

What is Avenanthramide B used for?

Known uses and roles of Avenanthramide B include antioxidants in cosmetics and personal care, skin conditioning agents in cosmetics and personal care, hair conditioning agents in cosmetics and personal care, antineoplastic agent, apoptosis inducer and 11 more.

Is Avenanthramide B hazardous?

Avenanthramide B carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Avenanthramide B?

Avenanthramide B is usually classified under HS code 292429 (Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Avenanthramide B?

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What is the price of Avenanthramide B?

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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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