2,4,5-Trimethoxybenzaldehyde - ≥98% , CAS No.4460-86-0

CAS: 4460-86-0 Cat. No.: T113590 Formula: C₁₀H₁₂O₄ Molecular Weight: 196.2 Beilstein Registry Number: 1951403 EC Number: 224-713-3 PubChem CID: 20525

COA

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2,4,5-Trimethoxybenzaldehyde - ≥98% CAS No(4460-86-0) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

T1172 | Asaronaldehyde | 2,4,5-Trimethoxybenzaldheyde | KBio2_006434 | MLS002473312 | SY015794 | Tox21_400070 | Asarylaldehyde, analytical standard | HY-100580 | NCGC00091253-01 | NCGC00091253-02 | NSC89299 | NSC-89299 | AKOS000119399 | BRN 1951403 | BCP9

Storage

Room temperature

Shipped In

Normal

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

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

🌡

Storage & shipping

Room temperature Ships Normal 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

2,4,5-Trimethoxybenzaldehyde is a selective Cox-2 inhibitor.
A selective Cox-2 inhibitor.

Specifications

Synonyms

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

Pubchem Sid	488182629
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182629
Canonical Smiles	COC1=CC(=C(C=C1C=O)OC)OC
IUPAC Name	2,4,5-trimethoxybenzaldehyde
InChIKey	IAJBQAYHSQIQRE-UHFFFAOYSA-N
INCHI	1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3
Isomeric SMILES	COC1=CC(=C(C=C1C=O)OC)OC
WGK Germany	3
RTECS	CU8460000
PubChem CID	20525
Molecular Weight	196.2
Beilstein	1951403
Reaxy-Rn	1951403

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

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoyl derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoyl derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoyl derivatives
Alternative Parents	Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic 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
Description	This 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	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 Activities)

Lot Number	Certificate Type	Date	Item
L2503024	Certificate of Analysis	Dec 08, 2025	T113590
D1803075	Certificate of Analysis	May 13, 2025	T113590
D1803076	Certificate of Analysis	May 13, 2025	T113590
L1531001	Certificate of Analysis	Apr 21, 2025	T113590
E2305757	Certificate of Analysis	Feb 11, 2025	T113590
H2112319	Certificate of Analysis	Feb 07, 2025	T113590
H2112320	Certificate of Analysis	Feb 07, 2025	T113590
H2112321	Certificate of Analysis	Feb 07, 2025	T113590
H2112323	Certificate of Analysis	Feb 07, 2025	T113590
I1923192	Certificate of Analysis	Jan 08, 2025	T113590
A2607522	Certificate of Analysis	Jun 29, 2024	T113590
A2607523	Certificate of Analysis	Jun 29, 2024	T113590
A2607524	Certificate of Analysis	Jun 29, 2024	T113590

Solubility	Soluble in Methanol,Dioxane
Sensitivity	Air sensitive.
Boil Point(°C)	140 °C/4 mmHg
Melt Point(°C)	109-112°C
Molecular Weight	196.200 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	196.074 Da
Monoisotopic Mass	196.074 Da
Topological Polar Surface Area	44.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	183.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

2,4,5-Trimethoxybenzaldehyde - ≥98% , CAS No.4460-86-0

Why this grade

Storage & shipping

Quality documents

Literature proof

Overview

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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