Allyl phenyl ether - ≥97% , CAS No.1746-13-0

CAS: 1746-13-0 Cat. No.: A101096 Formule: C₉H₁₀O Poids moléculaire: 134.18 Beilstein Registry Number: 1905622 Numéro CE: 217-125-3

GRADE & PURITY ≥97%

Synonyms

(allyloxy)benzene | 1373735-60-4 | Allyl phenyl ether | phenol allyl ether | UNII-26S07OSX4O | DTXSID6061943 | 2-Propen-1-yloxy-benzene | prop-2-enoxybenzene | Phenyl 2-propenyl ether | (2-Propenyloxy)benzene | 3-Phenoxypropene | allylphenyl ether | D7775

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

(allyloxy)benzene | 1373735-60-4 | Allyl phenyl ether | phenol allyl ether | UNII-26S07OSX4O | DTXSID6061943 | 2-Propen-1-yloxy-benzene | prop-2-enoxybenzene | Phenyl 2-propenyl ether | (2-Propenyloxy)benzene | 3-Phenoxypropene | allylphenyl ether | D7775

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 488184926
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184926
• Sourires canoniques: C=CCOC1=CC=CC=C1
• IUPAC Name: prop-2-enoxybenzene
• InChIKey: POSICDHOUBKJKP-UHFFFAOYSA-N
• INCHI: 1S/C9H10O/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2
• Isomères SMILES: C=CCOC1=CC=CC=C1
• WGK Allemagne: 3
• RTECS: DA8575000
• Poids moléculaire: 134.18
• Beilstein: 1905622
• Reaxy-Rn: 1905622
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1905622&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.522
• Point d'éclair (°F): 62℃
• Point d'éclair (°C): 62℃
• Point d'ébullition (°C): 192°C
• Poids moléculaire: 134.170 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 134.073 Da
• Monoisotopic Mass: 134.073 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 92.900
• 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

Références

1. Yingpeng Huo, Jiwen Hu, Yuanyuan Tu, Zhenzhu Huang, Shudong Lin, Yangfei Hu, Chao Feng.  (2020)  Platinum-Imidazolyl Schiff Base Complexes Immobilized in Periodic Mesoporous Organosilica Frameworks as Catalysts for Hydrosilylation.  APPLIED ORGANOMETALLIC CHEMISTRY,  34  (8): (e5697).  [PMID:] [10.1002/aoc.5697]

2. Zheng Botuo, Zhong Liling, Wang Xiaoxiao, Lin Peiyao, Yang Zezhou, Bai Tianwen, Shen Hang, Zhang Huagui.  (2024)  Structural evolution during inverse vulcanization.  Nature Communications,  15  (1): (1-17).  [PMID:38951493] [10.1038/s41467-024-49374-y]

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% 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 1746-13-0, the molecular formula is C9H10O, and the molecular weight is 134.18 g/mol. InChIKey POSICDHOUBKJKP-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.