(S)-(-)-1-Phenylethanol - ≥99% , CAS No.1445-91-6

CAS: 1445-91-6 Cat. No.: P113820 Formula: C₈H₁₀O Peso molecolare: 122.16 Beilstein Registry Number: 2039797 Numero EC: 604-424-2

GRADE & PURITY ≥99%

Synonyms

Benzenemethanol, .alpha.-methyl-, (.alpha.S)- | J-501784 | EX-A4418 | J-007970 | (S)-1-Phenethyl alcohol | (s)-1-phenyl-1-ethanol | MFCD00064264 | Z360055168 | A 41-304 | (-)-(S)-1-PHENYLETHANOL | Q26841260 | 2MIC4QLY2X | (1S)-1-Phenylethan-1-Ol | (1S)-1-

Storage

Room temperature

Shipped In

FedEx DG Service

Panoramica

(S)-(-)-1-Phenylethanol can be prepared from acetophenone via bioreduction in the presence of Rhizopus arrhizus as a biocatalyst.

Specifications

Sinonimi

Benzenemethanol, .alpha.-methyl-, (.alpha.S)- | J-501784 | EX-A4418 | J-007970 | (S)-1-Phenethyl alcohol | (s)-1-phenyl-1-ethanol | MFCD00064264 | Z360055168 | A 41-304 | (-)-(S)-1-PHENYLETHANOL | Q26841260 | 2MIC4QLY2X | (1S)-1-Phenylethan-1-Ol | (1S)-1-

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 488189802
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189802
• Sorrisi canonici: CC(C1=CC=CC=C1)O
• IUPAC Name: (1S)-1-phenylethanol
• InChIKey: WAPNOHKVXSQRPX-ZETCQYMHSA-N
• INCHI: 1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
• Isomeri SMILES: C[C@@H](C1=CC=CC=C1)O
• WGK Germania: 3
• RTECS: DO9275000
• Numero UN: 2937
• Gruppo di imballaggio: III
• Peso molecolare: 122.16
• Beilstein: 2039797
• Reaxy-Rn: 1905149
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1905149&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 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
• Descrizione: 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

Obiettivi associati (non umani)

Sult1a1 Aryl sulfotransferase (136 Activities)

Discover Target: Sult1a1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water at 20°C 20g/L. Soluble in alcohol.
• Indice di rifrazione: 1.526-1.528
• Rotazione specifica [α]: -43 ° (neat)
• Punto di infiammabilità (°F): 186.8 °F
• Punto di infiammabilità (°C): 85℃
• Punto di ebollizione (°C): 98 °C/20 mmHg
• Punto di fusione (°C): 9-11°C
• Peso molecolare: 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

Riferimenti

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. 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]

3. 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]

4. 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]