Propoxybenzene - ≥98% , CAS No.622-85-5

CAS: 622-85-5 Cat. No.: P405762 Fórmula: C₉H₁₂O Peso molecular: 136.19 Número EC: 210-756-5 PubChem CID: 12155

GRADE & PURITY ≥98%

Synonyms

EINECS 210-756-5 | Q29512077 | SCHEMBL144684 | BRN 1634987 | Propoxybenzene | propoxy-benzene | UNII-XBA82A8RYZ | Benzene, propoxy- | DS-3306 | AI3-24227 | C75927 | Ether, propyl phenyl | FT-0725964 | A917523 | XBA82A8RYZ | PHENYL PROPYL ETHER | 4-06-00-0

Storage

Room temperature

Descripción general

Maximum Absorption Wavelength:279(EtOH)nm

Specifications

Sinónimos

EINECS 210-756-5 | Q29512077 | SCHEMBL144684 | BRN 1634987 | Propoxybenzene | propoxy-benzene | UNII-XBA82A8RYZ | Benzene, propoxy- | DS-3306 | AI3-24227 | C75927 | Ether, propyl phenyl | FT-0725964 | A917523 | XBA82A8RYZ | PHENYL PROPYL ETHER | 4-06-00-0

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181566
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181566
• Sonrisas canónicas: CCCOC1=CC=CC=C1
• IUPAC Name: propoxybenzene
• InChIKey: DSNYFFJTZPIKFZ-UHFFFAOYSA-N
• INCHI: 1S/C9H12O/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
• Isómeros SMILES: CCCOC1=CC=CC=C1
• PubChem CID: 12155
• Peso molecular: 136.19
• Reaxy-Rn: 1634987

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.5
• Punto de inflamación (°C): 65 °C
• Punto de ebullición (°C): 190 °C
• Punto de fusión (°C): -28 °C
• Peso molecular: 136.190 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 136.089 Da
• Monoisotopic Mass: 136.089 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 74.800
• 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

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.

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

The CAS Number is 622-85-5, the molecular formula is C9H12O, and the molecular weight is 136.19 g/mol. InChIKey DSNYFFJTZPIKFZ-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.