(R)-(+)-1-Phenylethanol - ≥99% , CAS No.1517-69-7

CAS: 1517-69-7 Cat. No.: P100878 Fórmula: C₈H₁₀O Peso molecular: 122.16 Beilstein Registry Number: 2039798 Número EC: 604-814-2 PubChem CID: 637516

GRADE & PURITY ≥99%

Synonyms

(R)-(+)-1-Phenylethanol | (R)-(+)-sec-Phenethyl Alcohol | (R)-(+)-α-Methylbenzyl Alcohol

Storage

Room temperature

Shipped In

FedEx DG Service

Descripción general

It can be prepared from ethylbenzene via enantioselective hydroxylation of ethylbenzene catalyzed by peroxygenase enzyme.

Specifications

Sinónimos

(R)-(+)-1-Phenylethanol | (R)-(+)-sec-Phenethyl Alcohol | (R)-(+)-α-Methylbenzyl Alcohol

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

488190841

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190841

Sonrisas canónicas

C[C@@H](O)c1ccccc1

IUPAC Name

(1R)-1-phenylethanol

InChIKey

WAPNOHKVXSQRPX-SSDOTTSWSA-N

INCHI

1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1

Isómeros SMILES

C[C@H](C1=CC=CC=C1)O

WGK Alemania

3

PubChem CID

637516

Número ONU

2937

Peso molecular

122.16

Beilstein

2039798

Reaxy-Rn

2039798

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: 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: 1-phenylethanol

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

Objetivos asociados (no humanos)

Sult1a1 Aryl sulfotransferase (136 Activities)

Discover Target: Sult1a1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Miscible with organic solvents and slightly miscible with water.
• Índice de refracción: 1.526-1.528
• Punto de inflamación (°F): 185.0 °F
• Punto de inflamación (°C): 85℃
• Punto de ebullición (°C): 98°C
• Punto de fusión (°C): 9-11°C
• Peso molecular: 122.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 122.073 Da
• Monoisotopic Mass: 122.073 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 74.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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