3,4,5-Trimethoxybenzoic acid - 10mM in DMSO , CAS No.118-41-2

CAS: 118-41-2 Cat. No.: T420809 Peso molecular: 212.2 Beilstein Registry Number: 884655 Número EC: 204-248-2 PubChem CID: 8357
Disponible para pedir
GRADE & PURITY 10mM in DMSO
Synonyms
KBio3_001180 | TRIMETHOPRIM IMPURITY J [EP IMPURITY] | Trimethylgallic acid | CHEBI:454991 | EC 204-248-2 | H5A | Eudesmic Acid; 3,4,5-Trimethoxybenzoic acid; Trimethylgallic acid; 5-methoxy-veratric acid; Gallic acid trimethyl ether | Q-200337 | SpecPlus
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
Estado
Price
Qty
1ml
T420809-1ml
1
29,90US$
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
KBio3_001180 | TRIMETHOPRIM IMPURITY J [EP IMPURITY] | Trimethylgallic acid | CHEBI:454991 | EC 204-248-2 | H5A | Eudesmic Acid; 3, 4, 5-Trimethoxybenzoic acid; Trimethylgallic acid; 5-methoxy-veratric acid; Gallic acid trimethyl ether | Q-200337 | SpecPlus
Especificaciones y pureza
10mM in DMSO
Condiciones de almacenamiento de almacenamiento
Store at -80°C
Enviado en
Dry ice packs + Cold packs
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores
Sonrisas canónicasCOC1=CC(=CC(=C1OC)OC)C(=O)O
IUPAC Name3,4,5-trimethoxybenzoic acid
InChIKeySJSOFNCYXJUNBT-UHFFFAOYSA-N
INCHI1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
Isómeros SMILES COC1=CC(=CC(=C1OC)OC)C(=O)O
WGK Alemania 1
PubChem CID 8357
Peso molecular 212.2
Beilstein 884655
Reaxy-Rn 884655

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
ClaseBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Hydroxybenzoic acid derivatives
Direct ParentGallic acid and derivatives
Alternative Parents P-methoxybenzoic acids and derivatives  M-methoxybenzoic acids and derivatives  Benzoic acids  Phenoxy compounds  Methoxybenzenes  Benzoyl derivatives  Anisoles  Alkyl aryl ethers  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescripciónThis 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 benzoic acids - methoxybenzene
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
HEK293 (82097 Activities)
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TLR2 Tchem Toll-like receptor 2 (975 Activities)
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GMNN Tbio Geminin (128009 Activities)
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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
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NR0B1 Tbio Nuclear receptor subfamily 0 group B member 1 (493 Activities)
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Trichophyton rubrum (3646 Activities)
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Epidermophyton floccosum (561 Activities)
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Trichophyton mentagrophytes (4846 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Heterodera zeae (651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Punto de ebullición (°C)225-227°C
Punto de fusión (°C)171-172°C
Peso molecular212.200 g/mol
XLogP31.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass212.068 Da
Monoisotopic Mass212.068 Da
Topological Polar Surface Area65.000 Ų
Heavy Atom Count15
Formal Charge0
Complexity204.000
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
Referencias
1. Yuandong Yu, Guizhao Liang.  (2021)  Interaction mechanism of phenolic acids and zein: A spectrofluorometric and molecular dynamics investigation.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2021.118032]
Calculadoras de soluciones
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