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

CAS: 1517-69-7 Cat. No.: P100878 Formula: C₈H₁₀O Molecular Weight: 122.16 Beilstein Registry Number: 2039798 EC Number: 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

Overview

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

Specifications

Synonyms

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

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

FedEx DG Service

Purity

≥99%

Names and Identifiers

Pubchem Sid

488190841

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric SMILES

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

WGK Germany

3

PubChem CID

637516

UN Number

2937

Molecular Weight

122.16

Beilstein

2039798

Reaxy-Rn

2039798

Taxonomic Classification

Taxonomy Tree

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

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

Associated Targets(non-human)

Sult1a1 Aryl sulfotransferase (136 Activities)

Discover Target: Sult1a1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with organic solvents and slightly miscible with water.
• Refractive Index: 1.526-1.528
• Flash Point(°F): 185.0 °F
• Flash Point(°C): 85℃
• Boil Point(°C): 98°C
• Melt Point(°C): 9-11°C
• Molecular Weight: 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