Vanillic acid - ≥98% , CAS No.121-34-6

Name: Vanillic acid - ≥98% , CAS No.121-34-6
Brand: Aladdin Scientific
SKU: V104428
Availability: InStock

CAS: 121-34-6 Cat. No.: V104428 Formula: C₈H₈O₄ Molecular Weight: 168.15 Beilstein Registry Number: 2208364 EC Number: 204-466-8 PubChem CID: 8468

125 Citations COA

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Vanillic acid - ≥98% CAS No(121-34-6) V104428 by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

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 Documents & Articles Citations of This Product Solution Calculators Reviews

🧪

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 125 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

A flavoring agent.

Specifications

Synonyms

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

Pubchem Sid

488180804

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180804

Canonical Smiles

COC1=C(C=CC(=C1)C(=O)O)O

IUPAC Name

4-hydroxy-3-methoxybenzoic acid

InChIKey

WKOLLVMJNQIZCI-UHFFFAOYSA-N

INCHI

1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)O

WGK Germany

RTECS

YW5300000

PubChem CID

8468

Molecular Weight

168.15

Beilstein

2208364

Reaxy-Rn

2208364

Documentation

📋 Safety Data Sheet (SDS)

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

<<<<<<< HEAD Download SDS → ======= Download SDS → >>>>>>> release248-p3

✅ 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 Benzoic acids and derivatives
      - Level5 Methoxybenzoic acids and derivatives
        Level6 M-methoxybenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Methoxybenzoic acids and derivatives
Direct Parent	M-methoxybenzoic acids and derivatives
Alternative Parents	Methoxyphenols Hydroxybenzoic acid derivatives Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-methoxybenzoic acid or derivatives - Hydroxybenzoic acid - Methoxyphenol - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group.
External Descriptors	monohydroxybenzoic acid - methoxybenzoic acid
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)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

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

TPMT Tchem Thiopurine S-methyltransferase (45 Activities)

Discover Target: TPMT

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

HT-29 (80576 Activities)

Lot Number	Certificate Type	Date	Item
J2211246	Certificate of Analysis	Jul 03, 2026	V104428
D2628370	Certificate of Analysis	Apr 15, 2026	V104428
D2628359	Certificate of Analysis	Apr 15, 2026	V104428
D2628368	Certificate of Analysis	Apr 15, 2026	V104428
D2628369	Certificate of Analysis	Apr 15, 2026	V104428
B2602296	Certificate of Analysis	Jun 10, 2025	V104428
H2515643	Certificate of Analysis	Jun 10, 2025	V104428
H2508762	Certificate of Analysis	Jun 10, 2025	V104428
H2508761	Certificate of Analysis	Jun 10, 2025	V104428
H2508759	Certificate of Analysis	Jun 10, 2025	V104428
D2528001	Certificate of Analysis	Jun 24, 2024	V104428
J2421266	Certificate of Analysis	Jun 24, 2024	V104428
G2408405	Certificate of Analysis	Jun 24, 2024	V104428
G2408406	Certificate of Analysis	Jun 24, 2024	V104428
G2408407	Certificate of Analysis	Jun 24, 2024	V104428
C2518043	Certificate of Analysis	Jun 24, 2024	V104428
D2415295	Certificate of Analysis	Mar 13, 2024	V104428
D2415278	Certificate of Analysis	Mar 13, 2024	V104428
D2415282	Certificate of Analysis	Mar 13, 2024	V104428
K2225094	Certificate of Analysis	Nov 29, 2022	V104428
J2211242	Certificate of Analysis	Jul 25, 2022	V104428
J2211241	Certificate of Analysis	Jul 25, 2022	V104428
J2211240	Certificate of Analysis	Jul 25, 2022	V104428
K2317071	Certificate of Analysis	Jul 25, 2022	V104428
H2312260	Certificate of Analysis	Jul 25, 2022	V104428
G2315080	Certificate of Analysis	Jul 25, 2022	V104428
E2421038	Certificate of Analysis	Jul 25, 2022	V104428
E2308621	Certificate of Analysis	Jul 25, 2022	V104428
E2308607	Certificate of Analysis	Jul 25, 2022	V104428
E2530071	Certificate of Analysis	Nov 10, 2021	V104428
B2310278	Certificate of Analysis	Nov 10, 2021	V104428

Solubility	Soluble in water, alcohol and ether
Melt Point(°C)	210°C
Molecular Weight	168.150 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	168.042 Da
Monoisotopic Mass	168.042 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	168.000
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

Vanillic acid - ≥98% , CAS No.121-34-6

Storage & shipping

Quality documents

Literature proof

Overview

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

📚 Citations by Application

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