3-Methylphenoxyacetic acid - ≥98% , CAS No.1643-15-8

CAS: 1643-15-8 Cat. No.: M132501 Summenformel: C₉H₁₀O₃ EG-Nummer: 216-698-7

GRADE & PURITY ≥98%

Synonyms

BRN 2047572 | MFCD00014358 | p-Phenylbenzyl chloride | Ethanone, 1-(2,4,6-trimethylphenyl)- | DTXSID1051779 | NSC 35913 | EN300-00017 | 2-(3-methylphenoxy)acetic acid | DTXSID4075110 | 3-Methylphenoxyacetic acid | ?3-METHYLPHENOXYACETIC ACID | F1625-0074

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

BRN 2047572 | MFCD00014358 | p-Phenylbenzyl chloride | Ethanone, 1-(2,4,6-trimethylphenyl)- | DTXSID1051779 | NSC 35913 | EN300-00017 | 2-(3-methylphenoxy)acetic acid | DTXSID4075110 | 3-Methylphenoxyacetic acid | ?3-METHYLPHENOXYACETIC ACID | F1625-0074

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504754789

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754789

Kanonisches Lächeln

CC1=CC(=CC=C1)OCC(=O)O

IUPAC Name

2-(3-methylphenoxy)acetic acid

InChIKey

VZECTCSEONQIPP-UHFFFAOYSA-N

INCHI

1S/C9H10O3/c1-7-3-2-4-8(5-7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

Isomere SMILES

CC1=CC(=CC=C1)OCC(=O)O

Reaxy-Rn

2047572

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047572&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxyacetate - Phenoxy compound - Phenol ether - Toluene - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 102-105°C
• Molekulargewicht: 166.170 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.063 Da
• Monoisotopic Mass: 166.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 156.000
• 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

Häufig gestellte Fragen

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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1643-15-8, the molecular formula is C9H10O3. InChIKey VZECTCSEONQIPP-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.