2-Methoxybenzoic acid - 10mM in DMSO , CAS No.579-75-9

CAS: 579-75-9 Cat. No.: M424871 Formula: C₈H₈O₃ Molecular Weight: 152.15 Beilstein Registry Number: 509929 EC Number: 209-447-8

GRADE & PURITY 10mM in DMSO

Synonyms

2-METHOXYBENZOIC ACID|o-Anisic acid|579-75-9|O-Methylsalicylic acid|o-Methoxybenzoic acid|2-Anisic acid|Benzoic acid, 2-methoxy-|Salicylic acid methyl ether|529-75-9|2-Methoxy-benzoic acid|2-Methoxybenzoicacid|NSC 3778|O-Methoxy benzoic acid|Kyselina 2-me

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

It was added as carbon supplement in the culture medium of Moraxella osloensis. Photophysics of 2-methoxybenzoic acid has been investigated using both the time-correlated single photon counting and the fluorescence up-conversion techniques.
It was used as internal standard during quantification of free and conjugated salicylic acid in tomato (Lycopersicon esculentum) cells by HPLC. It was also employed in the synthesis of pthalides.

Specifications

Synonyms

2-METHOXYBENZOIC ACID | o-Anisic acid | 579-75-9 | O-Methylsalicylic acid | o-Methoxybenzoic acid | 2-Anisic acid | Benzoic acid, 2-methoxy- | Salicylic acid methyl ether | 529-75-9 | 2-Methoxy-benzoic acid | 2-Methoxybenzoicacid | NSC 3778 | O-Methoxy benzoic acid | Kyselina 2-me

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Pubchem Sid

528757448

Canonical Smiles

COC1=CC=CC=C1C(=O)O

IUPAC Name

2-methoxybenzoic acid

InChIKey

ILUJQPXNXACGAN-UHFFFAOYSA-N

INCHI

1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)

Isomeric SMILES

COC1=CC=CC=C1C(=O)O

WGK Germany

3

RTECS

BZ4385000

Alternate CAS

529-75-9

Molecular Weight

152.15

Beilstein

509929

Reaxy-Rn

509929

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509929&ln=

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 O-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: O-methoxybenzoic acids and derivatives
• Alternative Parents: Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-methoxybenzoic acid or derivatives - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group.
• External Descriptors: methoxybenzoic acid

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

Associated Targets(Human)

PIK3R1 Tchem PI3-kinase p110-alpha/p85-alpha (2589 Activities)

Discover Target: PIK3R1

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

Associated Targets(non-human)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

Discover Target: PIK3CA

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• x_boil_point_char: 200°C
• x_melt_point_char: 110°C
• Molecular Weight: 152.150 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 144.000
• 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