α-Ethylphenethyl alcohol - ≥97% , CAS No.701-70-2

CAS: 701-70-2 Cat. No.: E352402 Fórmula: C₁₀H₁₄O Peso molecular: 150.22 Número CE: 211-858-2

GRADE & PURITY ≥97%

Synonyms

Phenethyl alcohol, .alpha.-ethyl- | Phenethyl alcohol, alpha-ethyl- | DTXSID80862380 | Scopoletine | (+/-)-alpha-ethylphenethyl alcohol | FT-0647414 | EN300-85451 | alpha-Ethylphenethyl alcohol, 97% | Ubiquinone-45 | .alpha.-Ethylbenzeneethanol | NSC 4069

Storage

Room temperature

Shipped In

Normal

Visão geral

Product Application：

α-Ethylphenethyl alcohol may be used in chemical synthesis.

Specifications

Sinónimos

Phenethyl alcohol, .alpha.-ethyl- | Phenethyl alcohol, alpha-ethyl- | DTXSID80862380 | Scopoletine | (+/-)-alpha-ethylphenethyl alcohol | FT-0647414 | EN300-85451 | alpha-Ethylphenethyl alcohol, 97% | Ubiquinone-45 | .alpha.-Ethylbenzeneethanol | NSC 4069

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 488186724
• Sorrisos canónicos: CCC(CC1=CC=CC=C1)O
• IUPAC Name: 1-phenylbutan-2-ol
• InChIKey: LYUPJHVGLFETDG-UHFFFAOYSA-N
• INCHI: 1S/C10H14O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
• SMILES isoméricas: CCC(CC1=CC=CC=C1)O
• Peso molecular: 150.22
• Reaxy-Rn: 1862549
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1862549&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Propriedades químicas e físicas

• Índice de refração: n20/D 1.516 (lit.)
• Ponto de ebulição (°C): 124-127 °C
• Peso molecular: 150.220 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 150.104 Da
• Monoisotopic Mass: 150.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 95.000
• 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: 1

Perguntas frequentes

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 701-70-2, the molecular formula is C10H14O, and the molecular weight is 150.22 g/mol. InChIKey LYUPJHVGLFETDG-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.