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3,4,5-Trimethoxybenzoic Acid Ethyl Ester - ≥96.0%(GC), high purity , CAS No.6178-44-5

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3,4,5-Trimethoxybenzoic Acid Ethyl Ester - ≥96.0%(GC), high purity , CAS No.6178-44-5

COA

Grade & Purity:

≥96%(GC)

Cas Number: 6178-44-5
Molecular Weight: 240.26
Beilstein Registry Number: 10(4)2002
PubChem CID: 231162

In stock

Item Number

E137645

Grouped product items
SKU	Size	Availability	Price
E137645-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
E137645-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90
E137645-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$147.90
E137645-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$335.90

Basic Description

Synonyms	Ethyl 3,4,5-Trimethoxybenzoate \| 6178-44-5 \| 3,4,5-Trimethoxybenzoic Acid Ethyl Ester \| MFCD00017525 \| NSC26825 \| ethyltrimethoxy benzoate \| CHEMBL501163 \| SCHEMBL4410910 \| DTXSID50282612 \| CHEBI:165215 \| Ethyl 3,4,5-trimethoxybenzoate; \| AMY32800 \| NSC 26825 \| NSC-26825 \| AKOS00385
Specifications & Purity	≥96%(GC)
Shipped In	Normal

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Hydroxybenzoic acid derivatives
Direct Parent	Gallic acid and derivatives
Alternative Parents	P-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Benzoic acid esters Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Carboxylic acid ester - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
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

Associated Targets(non-human)

Nannizzia gypsea (2039 Activities)

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Aspergillus flavus (8875 Activities)

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Aspergillus niger (16508 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Aspergillus fumigatus (16427 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Candida tropicalis (8381 Activities)

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Trichophyton rubrum (3646 Activities)

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Epidermophyton floccosum (561 Activities)

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Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	ethyl 3,4,5-trimethoxybenzoate
INCHI	InChI=1S/C12H16O5/c1-5-17-12(13)8-6-9(14-2)11(16-4)10(7-8)15-3/h6-7H,5H2,1-4H3
InChIKey	UEOFNBCUGJADBM-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC
Isomeric SMILES	CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC
Molecular Weight	240.26
Beilstein	10(4)2002
Reaxy-Rn	2137087
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2137087&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
H2402226	Certificate of Analysis	Apr 16, 2024	E137645
H2402227	Certificate of Analysis	Apr 16, 2024	E137645

Chemical and Physical Properties

Molecular Weight	240.250 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	240.1 Da
Monoisotopic Mass	240.1 Da
Topological Polar Surface Area	54.000 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	229.000
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

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3,4,5-Trimethoxybenzoic Acid Ethyl Ester - ≥96.0%(GC), high purity , CAS No.6178-44-5

Basic Description

Taxonomic Classification

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

Chemical and Physical Properties

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Reviews

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