3-Methoxybenzaldehyde - ≥98% , CAS No.591-31-1

CAS: 591-31-1 Cat. No.: M106420 Summenformel: C8H8O2 Molekulargewicht: 136.15 Beilstein Registry Number: 606013 EG-Nummer: 209-712-8
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GRADE & PURITY ≥98%
Synonyms
Tox21_302136 | F2190-0576 | META-ANISALDEHYDE | 3-Methoxybenzaldehyde | AC-2427 | m-Methoxybenzaldehyde | STR00150 | m-Methoxy benzaldehyde | STK397887 | m-Anisaldehyde, purum, >=97.0% (GC) | NSC 43794 | AM87084 | A832179 | MFCD00003361 | 3-(methyloxy)ben
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
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Size
Deutschland (EU)
USA*
Price
Qty
5g
M106420-5g
—
Auf Lager ≥10

8,59€

9,46€
Speichern 0,87 € (9.17%)
10g
M106420-10g
Auf Bestellung · 8–12 Wochen

10,33€

13,80€
Speichern 3,47 € (25.16%)
25g
M106420-25g
—
3 Auf Lager

19,00€

26,81€
Speichern 7,81 € (29.13%)
100g
M106420-100g
—
3 Auf Lager

56,32€

77,14€
Speichern 20,83 € (27.00%)
500g
M106420-500g
—
1 Auf Lager
230,73€
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 12 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Übersicht

Product Description

M-formaldehyde has significant antifungal activity against Candida, including azole resistant strains.

Product Application

In normal phase silica gel chromatography, m-anisaldehyde can be used as eluent of vanillin mono-13c isotope. It is also used as an inhibitor of 4 - (methylnitrosamine) - 1 - (3-pyridyl) - 1-butanone (NNK) metabolism.

Specifications

Synonyme
Tox21_302136 | F2190-0576 | META-ANISALDEHYDE | 3-Methoxybenzaldehyde | AC-2427 | m-Methoxybenzaldehyde | STR00150 | m-Methoxy benzaldehyde | STK397887 | m-Anisaldehyde, purum, >=97.0% (GC) | NSC 43794 | AM87084 | A832179 | MFCD00003361 | 3-(methyloxy)ben
Spezifikationen & Reinheit
≥98%
Storage
Store at 2-8°C,Argon charged
Verschickt in
Wet ice
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid504752159
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752159
Kanonisches LächelnCOC1=CC=CC(=C1)C=O
IUPAC Name3-methoxybenzaldehyde
InChIKeyWMPDAIZRQDCGFH-UHFFFAOYSA-N
INCHI1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3
Isomere SMILES COC1=CC=CC(=C1)C=O
WGK Deutschland 3
RTECS BZ2605000
Molekulargewicht 136.15
Beilstein 606013
Reaxy-Rn 606013
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606013&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
KlasseBenzene and substituted derivatives
SubclassBenzoyl derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoyl derivatives
Alternative Parents Phenoxy compounds  Methoxybenzenes  Benzaldehydes  Anisoles  Alkyl aryl ethers  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Benzaldehyde - Anisole - Aryl-aldehyde - Alkyl aryl ether - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
External Descriptors a small molecule
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
SLC6A1 Tclin GABA transporter 1 (308 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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.

14 results found

Lot NumberCertificate TypeDatumArtikel
L2419127Certificate of AnalysisSep 01, 2026 M106420
F2118101Certificate of AnalysisSep 01, 2026 M106420
L2419098Certificate of AnalysisSep 01, 2026 M106420
B2628132Certificate of AnalysisMar 07, 2026 M106420
L2523009Certificate of AnalysisDec 31, 2025 M106420
G2631012Certificate of AnalysisDec 26, 2024 M106420
F2117180Certificate of AnalysisDec 06, 2024 M106420
F2117181Certificate of AnalysisDec 06, 2024 M106420
G2214032Certificate of AnalysisApr 07, 2024 M106420
G2214031Certificate of AnalysisApr 07, 2024 M106420
D2010050Certificate of AnalysisNov 06, 2023 M106420
I2208852Certificate of AnalysisJun 28, 2022 M106420
I2208853Certificate of AnalysisJun 28, 2022 M106420
I2208854Certificate of AnalysisJun 28, 2022 M106420

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Chemische und physikalische Eigenschaften
LöslichkeitSoluble in ethanol, and ether. Insoluble in water.
EmpfindlichkeitAir Sensitive
Brechungsindex1.553
Flammpunkt (°C)110°C
Siedepunkt (°C)230°C
Molekulargewicht136.150 g/mol
XLogP31.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass136.052 Da
Monoisotopic Mass136.052 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count10
Formal Charge0
Complexity112.000
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
Citations of This Product
Referenzen
1. Ruixue Yangcheng, Yuntong Cui, Shuang Luo, Jiansu Ran, Jianjian Wang.  (2023)  Hierarchical pore-trapped and hydrogen-bonded phosphoric acid in Pd-supported zeolite for the efficient aqueous hydrodeoxygenation of lignin derivatives at ambient temperature.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2023.112460]
2. Ye Meng, Yumei Jian, Jie Li, Hongguo Wu, Heng Zhang, Shunmugavel Saravanamurugan, Song Yang, Hu Li.  (2022)  Surface-active site engineering: Synergy of photo- and supermolecular catalysis in hydrogen transfer enables biomass upgrading and H2 evolution.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.139477]
3. Jiansu Ran, Ruixue YangCheng, Yuntong Cui, Jianjian Wang.  (2022)  Significant Promotion of Carboxyl Groups in Palladium Nanoparticles-Supported Biomass Carbon Catalysts for Efficient Low-Temperature Hydrodeoxygenation of Lignin Derivatives in Water.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.2c00572]
4. Ruixue Yangcheng, Jiansu Ran, Zhaohui Liu, Yuntong Cui, Jianjian Wang.  (2022)  Phosphoric acid-modified commercial kieselguhr supported palladium nanoparticles as efficient catalysts for low-temperature hydrodeoxygenation of lignin derivatives in water.  GREEN CHEMISTRY,  24  (4): (1570-1577).  [PMID:] [10.1039/D1GC04243B]
5. Huiqing Luo, Na Li, Liyan Liu, Huaqiao Wang, Feng He.  (2021)  Synthesis of New AIEE-Active Chalcones for Imaging of Mitochondria in Living Cells and Zebrafish In Vivo.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  22  (16): (8949).  [PMID:34445653] [10.3390/ijms22168949]
6. Lianqing Chen, Zhongda Wu, Yanting Du, Yufeng Huang, Shiwei Jin.  (2019)  Solvothermal synthesis of novel phenylpyrazole Schiff base fluorescent insecticides fused extended conjugate units for enhancing bioactivities, photophysical and electrochemical properties.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2019.06.093]
7. Qiong Wu, Tianfeng Chen, Zhao Zhang, Siyan Liao, Xiaohui Wu, Jian Wu, Wenjie Mei, Yanhua Chen, Weili Wu, Lingli Zeng, Wenjie Zheng.  (2014)  Microwave-assisted synthesis of arene ruthenium(II) complexes [(η6-RC6H5)Ru(m-MOPIP)Cl]Cl (R = -H and -CH3) as groove binder to c-myc G4 DNA.  DALTON TRANSACTIONS,  43  (24): (9216-9225).  [PMID:24818221] [10.1039/C3DT53635A]
8. Zuzhi Li, Ya Ma, Xingjie Guo, Yang Cao, Qian Jiang, Mi Gao, Xudong Liu, Daniel C. W. Tsang, Zhicheng Jiang, Bi Shi.  (2024)  Composite fiber as a multifunctional catalyst support for the upgradation of lignin-based chemicals.  GREEN CHEMISTRY,      [PMID:] [10.1039/D3GC04579J]
9. Qian Jiang, Shuguang Xu, Zuzhi Li, Xingjie Guo, Rui Zhang, Zhicheng Jiang, Bi Shi.  (2025)  Synergistic SiO2@NC core-shell nanosphere enhances catalytic hydrogenation of lignin-derived aromatic aldehydes.  GREEN CHEMISTRY,      [PMID:] [10.1039/D5GC00857C]
10. Qian Jiang, Zuzhi Li, Javier Remón, Hui Xin, Zhicheng Jiang, Bi Shi.  (2025)  Controlling carbonization of tannin for the effective Pd loading to hydrogenate lignin-derived aldehydes.  ChemSusChem,      [PMID:40263115] [10.1002/cssc.202500536]
11. Liwen Ding, Zewen Liu, Weihang Wang, Yang Yang, Ren Sa, Hongmei Wang, Liru Mi, Yalan Qin, Shaocong Kang, Meruyert Medelbek, Assiya Ansabayeva, Yuling Meng, Weixing Shan.  (2025)  Negative Immune Regulator CAD7 Functions as a Small-Molecule Aldehyde Reductase and Increases Histamine Accumulation in Arabidopsis.  MOLECULAR PLANT PATHOLOGY,  26  (12): (e70196).  [PMID:41456913] [10.1111/mpp.70196]
12. Letao Guo, Mei Yang, Lixia Yang, Mei Han, Wenna Tang, Guangwen Chen.  (2026)  Green and efficient utilization of ethyl acetate-derived ester enolates for aldol condensation in continuous flow: from ultralow temperature to room temperature.  Green Chemical Engineering,      [PMID:] [10.1016/j.gce.2026.07.001]
Lösungsrechner
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Häufig gestellte Fragen

What is the purity of this product?
This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.
How is this product shipped?
This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 591-31-1, the molecular formula is C8H8O2, and the molecular weight is 136.15 g/mol. InChIKey WMPDAIZRQDCGFH-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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