4'-Hydroxy-3'-methoxyacetophenone - Moligand™, ≥98%(GC) , CAS No.498-02-2

CAS: 498-02-2 Cat. No.: H156885 Formula: C9H10O3 Molecular Weight: 166.18 Beilstein Registry Number: 637373 EC Number: 207-854-5
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(GC)
Synonyms
1-(4-hydroxy-3-methoxyphenyl)ethan-1-one | 3-Methyl Methcathinone Hydrochloride | 3-Metoksy-4-hydroksyacetofenon | AKOS000120562 | 4-Acetyl-2-methoxyphenol | BRN 0637373 | 3-Metoksy-4-hydroksyacetofenon [Polish] | AA-504/20839006 | apocynin (acetovanillon
Storage
Room temperature
Shipped In
Normal
★
Size
USA
Germany (EU)*
Price
Qty
5g
H156885-5g
7 In stock
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$9.90
10g
H156885-10g
2 In stock
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$18.90

$28.90
Save $10.00 (34.60%)
25g
H156885-25g
6 In stock
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$19.90
100g
H156885-100g
3 In stock
—
$64.90
250g
H156885-250g
2 In stock
—
$129.90
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Why this grade

Moligand™, ≥98%(GC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 23 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Apocynin is a methoxy-substituted catechol that is commonly used as an inhibitor of Mox and Nox (NADPH oxidase) (IC50=10 μM). Because of Abocynin's inhibition of NADPH oxidase, ROS production is also inhibited. Studies show the compound's ability to decrease superoxide generation in bovine pulmonary arteries as well as neutrophils and macrophages (10 mM). In experimental rats, apocynin has displayed anti-inflammatory activity and can improve endothelial function by reducing oxidative stress and improved NO bioavailability. Reportedly prevents phagocytosis of MBP (myelin) by macrophages. Also has proven to be a useful product for studying NO-regulated processes in plants.
A methoxy-substituted catechol commonly used as an inhibitor of NADPH oxidase.

Specifications

Synonyms
1-(4-hydroxy-3-methoxyphenyl)ethan-1-one | 3-Methyl Methcathinone Hydrochloride | 3-Metoksy-4-hydroksyacetofenon | AKOS000120562 | 4-Acetyl-2-methoxyphenol | BRN 0637373 | 3-Metoksy-4-hydroksyacetofenon [Polish] | AA-504/20839006 | apocynin (acetovanillon
Specifications & Purity
Moligand™, ≥98%(GC)
Biochemical and Physiological Mechanisms
Selective NADPH-oxidase inhibitor (IC 50 = 10 μM). Inhibits production of reactive oxygen species. Also elicits a range of in vitro and in vivo anti-inflammatory effects.
Storage
Room temperature
Shipped In
Normal
Grade
Moligand™
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Purity
≥98%(GC)
Names and Identifiers
Pubchem Sid488179678
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488179678
Canonical SmilesCC(=O)C1=CC(=C(C=C1)O)OC
IUPAC Name1-(4-hydroxy-3-methoxyphenyl)ethanone
InChIKeyDFYRUELUNQRZTB-UHFFFAOYSA-N
INCHI1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
Isomeric SMILES CC(=O)C1=CC(=C(C=C1)O)OC
WGK Germany 2
RTECS AM8800000
Molecular Weight 166.18
Beilstein 637373
Reaxy-Rn 637373
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637373&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Methoxyphenols  Acetophenones  Phenoxy compounds  Methoxybenzenes  Benzoyl derivatives  Aryl alkyl ketones  Anisoles  Alkyl aryl ethers  1-hydroxy-2-unsubstituted benzenoids  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyl-phenylketone - Methoxyphenol - Acetophenone - Phenoxy compound - Methoxybenzene - Aryl alkyl ketone - Anisole - Phenol ether - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Ether - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors Flavans, Flavanols and Leucoanthocyanidins
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TYR Tclin Tyrosinase (717 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
N9 (414 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cricetinae gen. sp. (3197 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAW264.7 (28094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RBL-2H3 (1162 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hamster (598 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

27 results found

Lot NumberCertificate TypeDateItem
I2621548Certificate of AnalysisSep 10, 2026 H156885
I2621547Certificate of AnalysisSep 10, 2026 H156885
I2621546Certificate of AnalysisSep 10, 2026 H156885
I2621545Certificate of AnalysisSep 10, 2026 H156885
I2621472Certificate of AnalysisSep 10, 2026 H156885
A2224139Certificate of AnalysisOct 29, 2025 H156885
A2224143Certificate of AnalysisOct 29, 2025 H156885
A2224151Certificate of AnalysisOct 29, 2025 H156885
A2224138Certificate of AnalysisOct 29, 2025 H156885
I2508411Certificate of AnalysisAug 30, 2025 H156885
I2509417Certificate of AnalysisAug 30, 2025 H156885
I2509415Certificate of AnalysisAug 30, 2025 H156885
I2509413Certificate of AnalysisAug 30, 2025 H156885
E2628104Certificate of AnalysisAug 30, 2025 H156885
A2623069Certificate of AnalysisAug 30, 2025 H156885
I2109327Certificate of AnalysisJun 09, 2025 H156885
G2525032Certificate of AnalysisDec 16, 2024 H156885
L2425358Certificate of AnalysisDec 16, 2024 H156885
L2425360Certificate of AnalysisDec 16, 2024 H156885
L2425363Certificate of AnalysisDec 16, 2024 H156885
L2425364Certificate of AnalysisDec 16, 2024 H156885
L2425366Certificate of AnalysisDec 16, 2024 H156885
I1904025Certificate of AnalysisJun 09, 2023 H156885
I2411149Certificate of AnalysisDec 11, 2021 H156885
G2321099Certificate of AnalysisDec 11, 2021 H156885
I2109370Certificate of AnalysisSep 14, 2021 H156885
G2321089Certificate of AnalysisSep 14, 2021 H156885
Chemical and Physical Properties
SolubilitySoluble in hot water Solubility in other solvents: Soluble in ethanol, acetone, benzene Very soluble in diethyl ether, chloroform Practically insoluble in petroleum ether
Flash Point(°F)235.4 °F
Flash Point(°C)113 °C
Boil Point(°C)263-265 °C/17 mmHg
Melt Point(°C)112-115 °C
Molecular Weight166.170 g/mol
XLogP30.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass166.063 Da
Monoisotopic Mass166.063 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count12
Formal Charge0
Complexity167.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
Solution Calculators
Reviews

Customer Reviews

Frequently Asked Questions

What is the purity of this product, and how is it determined?
This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.
What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at room temperature.
How is this product shipped?
This product ships under standard ambient conditions. No temperature-controlled packaging is required.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 498-02-2, the molecular formula is C9H10O3, and the molecular weight is 166.18 g/mol. InChIKey DFYRUELUNQRZTB-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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