3-Phenoxytoluene - ≥98% , CAS No.3586-14-9

CAS: 3586-14-9 Cat. No.: P160719 Summenformel: C₁₃H₁₂O Molekulargewicht: 184.24 Beilstein Registry Number: 2045710 EG-Nummer: 222-716-4 PubChem CID: 19165

GRADE & PURITY ≥98%

Synonyms

3-Methylphenyl phenyl ether | Phenyl m-tolyl ether | BRN 2045714 | SY049136 | P0831 | Ether, phenyl m-tolyl | Ether, phenyl m-tolyl- | MFCD00008531 | NCGC00248887-01 | AS-12310 | NCGC00258511-01 | 2ZZI1Z67WR | m-Tolyl Phenyl Ether | Permethrin Impurity A

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

3-Methylphenyl phenyl ether | Phenyl m-tolyl ether | BRN 2045714 | SY049136 | P0831 | Ether, phenyl m-tolyl | Ether, phenyl m-tolyl- | MFCD00008531 | NCGC00248887-01 | AS-12310 | NCGC00258511-01 | 2ZZI1Z67WR | m-Tolyl Phenyl Ether | Permethrin Impurity A

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488182529

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182529

Kanonisches Lächeln

CC1=CC(=CC=C1)OC2=CC=CC=C2

IUPAC Name

1-methyl-3-phenoxybenzene

InChIKey

UDONPJKEOAWFGI-UHFFFAOYSA-N

INCHI

1S/C13H12O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10H,1H3

Isomere SMILES

CC1=CC(=CC=C1)OC2=CC=CC=C2

WGK Deutschland

2

RTECS

DA6142000

PubChem CID

19165

Molekulargewicht

184.24

Beilstein

2045710

Reaxy-Rn

2045714

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Toluenes Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Toluene - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Brechungsindex: 1.57
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 272 °C
• Molekulargewicht: 184.230 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 184.089 Da
• Monoisotopic Mass: 184.089 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 161.000
• 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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 3586-14-9, the molecular formula is C13H12O, and the molecular weight is 184.24 g/mol. InChIKey UDONPJKEOAWFGI-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.