4-Methoxyphenylacetic acid - ≥97% , CAS No.104-01-8

CAS: 104-01-8 Cat. No.: S736415 Molecular Weight: 166.17 Beilstein Registry Number: 1101737 EC Number: 203-166-4
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
Homoanisic acid
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
25g
S736415-25g
1
$9.90
100g
S736415-100g
1
$19.90
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

4-Methoxyphenylacetic acid belongs to the class of aryl alkanoic acids, with a broad-spectrum of applications, which includes its role as an intermediate in synthetic organic chemistry, building block material for the production of a variety of essential drugs, an additive in the manufacture of unsubstituted indigo dyes and corrosion inhibitor for aluminum in acidic and alkaline solutions. It is a structural analog of 2-(4-methoxyphenoxy)propanoic acid, reported to occur in cocoa products

4-Methoxyphenylacetic acid can be used:

•To prepare methyl 4-methoxyphenylacetate by esterification with dimethyl carbonate using mesoporous sulfated zirconia catalyst.

•As a ligand to synthesize pharmacologically important dinuclear gallium(III) and phenyltin(IV) carboxylate metal complexes.

•As a reactant to synthesize hydroxylated (E)-stilbenes by reacting with substituted benzaldehydes via Perkin reaction.

Specifications

Synonyms
Homoanisic acid
Specifications & Purity
≥97%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Canonical SmilesCOC1=CC=C(C=C1)CC(=O)O
IUPAC Name2-(4-methoxyphenyl)acetic acid
InChIKeyNRPFNQUDKRYCNX-UHFFFAOYSA-N
INCHI1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
Isomeric SMILES COC1=CC=C(C=C1)CC(=O)O
WGK Germany 3
RTECS AI8960000
Molecular Weight 166.17
Beilstein 1101737
Reaxy-Rn 1101737
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1101737&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
SuperclassBenzenoids
ClassPhenol ethers
SubclassAnisoles
Intermediate Tree Nodes Not available
Direct ParentAnisoles
Alternative Parents Phenoxy compounds  Methoxybenzenes  Alkyl aryl ethers  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors monocarboxylic acid - monomethoxybenzene
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
N9 (414 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-2 (46422 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-OV-3 (52876 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
XF498 (12972 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 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.

4 results found

Lot NumberCertificate TypeDateItem
F2526628Certificate of AnalysisJun 30, 2025 S736415
F2526629Certificate of AnalysisJun 30, 2025 S736415
F2526630Certificate of AnalysisJun 30, 2025 S736415
F2526636Certificate of AnalysisJun 30, 2025 S736415
Chemical and Physical Properties
SolubilitySolubility in Methanol very faint turbidity
Sensitivityheat sensitive
Boil Point(°C)140 °C/3 mmHg
Melt Point(°C)85-88°C
Molecular Weight166.170 g/mol
XLogP31.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass166.063 Da
Monoisotopic Mass166.063 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count12
Formal Charge0
Complexity148.000
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
References
1. Zhenyuan Mei, Yu Cai, Zizheng Tong, Dongwen Zou, Hongyang Li, Jingyan Liu, Meimei Zhu, Yudan Liang, Hong Meng, Yaowu He.  (2025)  All-in-One Complementary Electrochromism for Ultra-Stable Broadband Smart Windows.  ACS Applied Materials & Interfaces,      [PMID:41264915] [10.1021/acsami.5c16749]
Solution Calculators
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