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

CAS: 1517-69-7 Cat. No.: P100878 Summenformel: C₈H₁₀O Molekulargewicht: 122.16 Beilstein Registry Number: 2039798 EG-Nummer: 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

Übersicht

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 488190841
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190841
• Kanonisches Lächeln: 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
• Isomere SMILES: C[C@H](C1=CC=CC=C1)O
• WGK Deutschland: 3
• PubChem CID: 637516
• UN-Nummer: 2937
• Molekulargewicht: 122.16
• Beilstein: 2039798
• Reaxy-Rn: 2039798

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

Sult1a1 Aryl sulfotransferase (136 Activities)

Discover Target: Sult1a1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with organic solvents and slightly miscible with water.
• Brechungsindex: 1.526-1.528
• Flammpunkt (°F): 185.0 °F
• Flammpunkt (°C): 85℃
• Siedepunkt (°C): 98°C
• Schmelzpunkt (°C): 9-11°C
• Molekulargewicht: 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

Referenzen

1. Miao Chen, Xiaole Li, Jinfan Li, Chunyan Liu, Ajuan Yu, Shusheng Zhang.  (2023)  Highly enantioseparation in membrane-supported one-dimensional metal–organic framework hollow nanotube array prepared via mussel-inspired chemistry.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.125704]

2. Pan Jiang, Hongkun Li, Wei Liu, Yi Li, Baozong Li, Yonggang Yang.  (2021)  Silica covering driven intensity enhancement and handedness inversion of the CPL signals of the supramolecular assemblies.  NEW JOURNAL OF CHEMISTRY,  45  (20): (8986-8992).  [PMID:] [10.1039/D1NJ01327K]

3. Weican Wang, Ling Li, Xiaoda Wang, Ting Qiu, Jianhao Yang, Changshen Ye.  (2021)  Reaction kinetic studies on the immobilized-lipase catalyzed enzymatic resolution of 1-phenylethanol transesterification with ethyl butyrate.  BIOCATALYSIS AND BIOTRANSFORMATION,      [PMID:] [10.1080/10242422.2020.1855150]

4. Zhang Yajuan, Duan Yajuan, Zhong Lingli, Li Zhoukun, Cui Zhongli, Huang Yan.  (2019)  Characterization of a novel aldo-keto reductase with anti-Prelog stereospecificity from Corallococcus sp. EGB.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:31887378] [10.1016/j.ijbiomac.2019.12.214]

5. Dun Deng, Yun Zhang, Aijun Sun, Yunfeng Hu.  (2016)  Enantio-selective preparation of (S)-1-phenylethanol by a novel marine GDSL lipase MT6 with reverse stereo-selectivity.  CHINESE JOURNAL OF CATALYSIS,      [PMID:] [10.1016/S1872-2067(16)62505-6]

6. Geling Kuang, Jinchao Hou, Zichen Wang, Lixue Zhao, Yuxiao Feng, Hongwu Wang, Jiandong Cui.  (2026)  Spatial localization immobilization of metals and enzymes at Pickering emulsion droplet interfaces for chemo-enzymatic cascade catalysis.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:41500101] [10.1016/j.jcis.2026.139840]