Sodium 2-(4-methoxyphenoxy)propanoic acid - ≥99% , CAS No.150436-68-3

CAS: 150436-68-3 Cat. No.: S338208 Molecular Weight: 218.18 EC Number: 604-737-4 PubChem CID: 23670520

GRADE & PURITY ≥99%

Synonyms

Propanoic acid, 2-(4-methoxyphenoxy)-, sodium salt | (-)-2-(4-methoxyphenoxy) propionic acid sodium salt | AS-13339 | SODIUM2-(4-METHOXYPHENOXY)PROPIONATE | Propanoic acid, 2-(4-methoxyphenoxy)-, sodium salt (1:1) | A908609 | MFCD07783974 | SODIUM 2-(4-ME

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

Propanoic acid, 2-(4-methoxyphenoxy)-, sodium salt | (-)-2-(4-methoxyphenoxy) propionic acid sodium salt | AS-13339 | SODIUM2-(4-METHOXYPHENOXY)PROPIONATE | Propanoic acid, 2-(4-methoxyphenoxy)-, sodium salt (1:1) | A908609 | MFCD07783974 | SODIUM 2-(4-ME

Specifications & Purity

≥99%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504769568
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769568
• Canonical Smiles: CC(C(=O)[O-])OC1=CC=C(C=C1)OC.[Na+]
• IUPAC Name: sodium;2-(4-methoxyphenoxy)propanoate
• InChIKey: SKORRGYRKQDXRS-UHFFFAOYSA-M
• INCHI: 1S/C10H12O4.Na/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9;/h3-7H,1-2H3,(H,11,12);/q;+1/p-1
• Isomeric SMILES: CC(C(=O)[O-])OC1=CC=C(C=C1)OC.[Na+]
• PubChem CID: 23670520
• Molecular Weight: 218.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass 2-phenoxypropionic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: 2-phenoxypropionic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyloxyphenoxypropionic acids
• Alternative Parents: Phenoxyacetic acid derivatives Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyloxyphenoxypropionic acid - Phenoxyacetate - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyloxyphenoxypropionic acids. These are aromatic compounds containing a phenoxypropionic acid that is para-substituted with an alkyl 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

Associated Targets(Human)

TAS1R3 Tbio Taste receptor type 1 member 3 (10 Activities)

Discover Target: TAS1R3

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

TAS1R3 Tbio T1R1/T1R3 (473 Activities)

Discover Target: TAS1R3

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

Associated Targets(non-human)

Chrm1 Muscarinic acetylcholine receptor (3770 Activities)

Discover Target: Chrm1

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

Tas2r105 Taste receptor type 2 member 105 (1 Activities)

Discover Target: Tas2r105

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: moisture & light sensitive
• Refractive Index: n20D~1.52 (Predicted)
• Melt Point(°C): 92-93° C
• Molecular Weight: 218.180 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 218.056 Da
• Monoisotopic Mass: 218.056 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 190.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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