METHYL 2,4,6-TRIMETHOXYBENZOATE - ≥98% , CAS No.29723-28-2

CAS: 29723-28-2 Cat. No.: M169364 Formule: C₁₁H₁₄O₅ Poids moléculaire: 226.231 Numéro CE: 635-705-8

GRADE & PURITY ≥98%

Synonyms

methyl 2,4,6-trimethoxybenzoate|29723-28-2|Benzoic acid, 2,4,6-trimethoxy-, methyl ester|2,4,6-Trimethoxy-benzoic acid methyl ester|Methyl2,4,6-trimethoxybenzoate|NSC151971|SCHEMBL2563067|CHEMBL2252252|DTXSID70302583|CEARZEQLIHOYSV-UHFFFAOYSA-N|MFCD004556

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

methyl 2,4,6-trimethoxybenzoate | 29723-28-2 | Benzoic acid, 2,4,6-trimethoxy-, methyl ester | 2,4,6-Trimethoxy-benzoic acid methyl ester | Methyl2,4,6-trimethoxybenzoate | NSC151971 | SCHEMBL2563067 | CHEMBL2252252 | DTXSID70302583 | CEARZEQLIHOYSV-UHFFFAOYSA-N | MFCD004556

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504758329

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758329

Sourires canoniques

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

IUPAC Name

methyl 2,4,6-trimethoxybenzoate

InChIKey

CEARZEQLIHOYSV-UHFFFAOYSA-N

INCHI

1S/C11H14O5/c1-13-7-5-8(14-2)10(11(12)16-4)9(6-7)15-3/h5-6H,1-4H3

Isomères SMILES

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

Poids moléculaire

226.231

Reaxy-Rn

2728900

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2728900&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Methoxybenzoic acids and derivatives
          • Level6 P-methoxybenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Methoxybenzoic acids and derivatives
• Direct Parent: P-methoxybenzoic acids and derivatives
• Alternative Parents: O-methoxybenzoic acids and derivatives Benzoic acid esters Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
• External Descriptors: Not available

Data sources

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 226.230 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 226.084 Da
• Monoisotopic Mass: 226.084 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 216.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 29723-28-2, the molecular formula is C11H14O5, and the molecular weight is 226.231 g/mol. InChIKey CEARZEQLIHOYSV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.