DL-1-Phenylethyl Alcohol - ≥95% , CAS No.98-85-1

CAS: 98-85-1 Cat. No.: P165285 Summenformel: C₈H₁₀O Molekulargewicht: 122.16 Beilstein Registry Number: 1905149 EG-Nummer: 202-707-1

QUALITÄT & REINHEIT ≥95%

Synonyms

(+) alpha-phenylethanol|methylbenzyl alcohol|alpha-Hydroxyethylbenzene|DL-sec-Phenethyl alcohol|(s)-(+)-1-phenylethanol|1-phenyl ethanol|Alpha-methyl benzyl alcohol|a-Methylbenzyl alcohol, 8CI|Styrallyl alcohol|(+/-)-.ALPHA.-METHYLBENZYL ALCOHOL|1-Phenylethyl alcohol|alpha-Phenylethanol|Benzyl alcohol, .alpha.-methyl-|Methanol, methylphenyl-|Methylphenylcarbinol|1-(Phenylethyl) alcohol|Styrene alcohol|Benzenemethanol, .alpha.-methyl-|DL-1-Phenylethanol|.alpha.-Phenylethyl alcohol|FEMA Number 2685|.alpha.-Hydroxyethylbenzene|1-Phenyl-1-ethylalcohol|ALPHA-METHYLBENZYL ALCOHOL [FCC]|a-methylbenzyl alcohol|Methyl phenyl carbinol|(+/-)-alpha-Methylbenzyl alcohol|(+/-)-sec-Phenethyl Alcohol|.alpha.-Phenylethanol|DL-1-Phenethylalcohol|Phenyl Ethanol|a-Methylbenzenemethanol, 9CI|(+/-)-1-Phenylethyl Alcohol|a-Hydroxyethylbenzene|alpha-Methylbenzenemethanol|alpha-methyl-benzenemethanol|alpha-Phenylethyl alcohol|Fenyl-methylkarbinol [Czech]|(1-Hydroxyethyl)benzene|1-PHENYLETHAN-2,2,2-D3-OL|1-phenylethane-1-ol|.alpha.-Phenethyl alcohol|ALPHA-METHYLBENZYL ALCOHOL|alpha-Methyl-benzyl alcohol|sec-Phenethyl alcohol|1-Phenyl-1-hydroxyethane|Benzenemethanol, .alpha.-methyl-, (R)-|Ethanol, 1-phenyl-|Benzenemethanol, alpha-methyl-|Methylphenyl-Methanol|.ALPHA.-METHYLBENZYL ALCOHOL [FHFI]|1-Fenylethanol [Czech]|1-hydroxyethylbenzene|Fenyl-methylkarbinol|(+/-)-1-Phenylethanol|1-PHENYLETHANOL, (+/-)-|Alcohol methyl benzylic|Benzenemethanol, .alpha.-methyl-, (S)-|methyl phenyl methanol|.alpha.-Methylbenzyl alcohol|1-Phenylethan-1-ol|1-Phenylethanol|1-PHENYL-ETHANOL|Benzene-d5-methan-d-ol, a-(methyl-d3)-|1-Phenyl ethyl alcohol|alpha-Methyl-benzmethanol|ALPHA-METHYLBENZYL ALCOHOL [HSDB]|Phenylmethylcarbinol|dl-.alpha.-Methylbenzyl alcohol|methylbenzylalcohol|.alpha.-Methylbenzenemethanol|1-phenyl-1-ethanol|Methylphenyl carbinol|racemic 1-phenylethyl alcohol|Styralyl alcohol|1-Fenylethanol|Benzyl alcohol, alpha-methyl-|rac.-1-phenylethanol

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Übersicht

application：

The Arthrobacter sp. is able to grow with (+ I-,(-)-1-phenylethanol or the racemic mixture as sole source of carbon. Growth is most rapid with the (-)-isomer, doubling time 12 h. Lipases show good activity and, in some cases, improved enantioselectivity when employed in pure ionic liquids for dynamic kinetic resolution of 1-phenylethanol by transesterification.

Spezifikationen

Synonyme

(+) alpha-phenylethanol | methylbenzyl alcohol | alpha-Hydroxyethylbenzene | DL-sec-Phenethyl alcohol | (s)-(+)-1-phenylethanol | 1-phenyl ethanol | Alpha-methyl benzyl alcohol | a-Methylbenzyl alcohol, 8CI | Styrallyl alcohol | (+/-)-.ALPHA.-METHYLBENZYL ALCOHOL | 1-Phenylethyl alcohol | alpha-Phenylethanol | Benzyl alcohol, .alpha.-meth Show more

Spezifikationen & Reinheit

≥95%

Storage

Room temperature,Desiccated

Verschickt in

FedEx DG Service

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504751333

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751333

Kanonisches Lächeln

CC(C1=CC=CC=C1)O

IUPAC Name

1-phenylethanol

InChIKey

WAPNOHKVXSQRPX-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

CC(C1=CC=CC=C1)O

WGK Deutschland

1

RTECS

DO9275000

UN-Nummer

2937

Verpackungsgruppe

III

Molekulargewicht

122.16

Beilstein

1905149

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
    • 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: a small molecule

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)

Triticum aestivum (1582 Activities)

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

Microbotryum violaceum (192 Activities)

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Aspergillus pseudoglaucus (84 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Gefrierpunkt (°C): 20 °C
• Brechungsindex: 1.526-1.528
• Flammpunkt (°F): 186.8 °F
• Flammpunkt (°C): 94°C
• Siedepunkt (°C): 203-205℃
• Schmelzpunkt (°C): 19-20°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: 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