Ethyl gallate - ≥95% , CAS No.831-61-8

Name: Ethyl gallate - ≥95% , CAS No.831-61-8
SKU: E113216
Availability: InStock

CAS: 831-61-8 Cat. No.: E113216 Formula: C₉H₁₀O₅ Molecular Weight: 198.17 Beilstein Registry Number: 2116014 EC Number: 212-608-5

20 Citations COA

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Ethyl gallate - ≥95% CAS No(831-61-8) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥95%

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 Citations of This Product Solution Calculators Reviews

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Why this grade

≥95% 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 20 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

A compound produced from gallic acid and ethanol found in natural plant sources.

Specifications

Synonyms

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

Pubchem Sid

508814464

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508814464

Canonical Smiles

CCOC(=O)C1=CC(=C(C(=C1)O)O)O

IUPAC Name

ethyl 3,4,5-trihydroxybenzoate

InChIKey

VFPFQHQNJCMNBZ-UHFFFAOYSA-N

INCHI

1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)O)O)O

WGK Germany

RTECS

LW7700000

Molecular Weight

198.17

Beilstein

2116014

Reaxy-Rn

2116014

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2116014&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

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Hydroxybenzoic acid derivatives
        Level6 Gallic acid and derivatives
        Level7 Galloyl esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Hydroxybenzoic acid derivatives - Gallic acid and derivatives
Direct Parent	Galloyl esters
Alternative Parents	p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Pyrogallols and derivatives Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Polyols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Galloyl ester - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Benzenetriol - Pyrogallol derivative - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Polyol - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid.
External Descriptors	gallate ester
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

CCRF-CEM (65223 Activities)

Lot Number	Certificate Type	Date	Item
J22111008	Certificate of Analysis	Jul 03, 2026	E113216
J22111009	Certificate of Analysis	Jul 03, 2026	E113216
J22111010	Certificate of Analysis	Jul 03, 2026	E113216
J22111011	Certificate of Analysis	Jul 03, 2026	E113216
K2118479	Certificate of Analysis	Aug 18, 2025	E113216
K2118618	Certificate of Analysis	Aug 18, 2025	E113216
K2118619	Certificate of Analysis	Aug 18, 2025	E113216
D2523110	Certificate of Analysis	Jul 15, 2024	E113216
D2523111	Certificate of Analysis	Jul 15, 2024	E113216
D2523112	Certificate of Analysis	Jul 15, 2024	E113216
I2018076	Certificate of Analysis	Jul 12, 2024	E113216
C1601109	Certificate of Analysis	Oct 08, 2023	E113216
L2418041	Certificate of Analysis	Jul 25, 2022	E113216
L2418173	Certificate of Analysis	Oct 08, 2021	E113216

Solubility	Slightly soluble in water; Soluble in Methanol,Ethanol,Ether
Melt Point(°C)	151-154°C
Molecular Weight	198.170 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	198.053 Da
Monoisotopic Mass	198.053 Da
Topological Polar Surface Area	87.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	193.000
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

Ethyl gallate - ≥95% , CAS No.831-61-8

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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