1-Phenylethenol

Base Information

• Chemical Name: 1-Phenylethenol
• CAS No.: 4383-15-7
• Molecular Formula: C8H8O
• Molecular Weight: 120.151
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID50195950
• Nikkaji Number: J492.384G
• Wikidata: Q27118059
• Metabolomics Workbench ID: 56093
• Mol file: 4383-15-7.mol

Synonyms:1-Phenylethenol;4383-15-7;1-Phenylethen-1-ol;1-phenylvinyl alcohol;1-Phenylethene-1-ol;SCHEMBL464697;CHEBI:38961;DTXSID50195950;Q27118059

Chemical Property of 1-Phenylethenol

Chemical Property:

• Vapor Pressure: 0.0295mmHg at 25°C
• Boiling Point: 234.3°C at 760 mmHg
• Flash Point: 107.4°C
• PSA: 20.23000
• Density: 1.033g/cm³
• LogP: 2.21530
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 120.057514874
• Heavy Atom Count: 9
• Complexity: 101

Purity/Quality:

1-Phenylethen-1-ol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=C(C1=CC=CC=C1)O

Technology Process of 1-Phenylethenol

There total 8 articles about 1-Phenylethenol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-methyl-1-phenylpentan-1-one (2050-07-9) → 1-phenyl-ethanone (4383-15-7) + 2,2-dimethyl-1-phenyl-1-cyclobutanol (81759-40-2) + acetophenone (98-86-2) + isobutene (115-11-7,15220-85-6)

Guidance literature:

With copper acetylacetonate; In methanol; at 27 ℃; Rate constant; Quantum yield; Mechanism; Irradiation;

DOI:10.1021/j100210a042

Reference yield:

acetophenone (98-86-2) → 1-phenyl-ethanone (4383-15-7)

Guidance literature:

In perchloric acid; at 25 ℃; Rate constant; various concentrations of acid;

Reference yield:

4-(2-oxo-2-phenylethyl)-2,6-dimethylenebicyclo<3.1.0>hexane (89032-34-8) → [2.2]Metacyclophan (51744-98-0,2319-97-3,96290-39-0) + 1-phenyl-ethanone (4383-15-7)

Guidance literature:

In acetone; at -78 ℃; for 1.5h; Irradiation;

DOI:10.1021/ja00305a015

upstream raw materials:

t-butylnitrite

phenyl butyl ketone

4-hydroxy-1-phenyl-butan-1-one

4-methyl-1-phenylpentan-1-one

Downstream raw materials:

1-Phenylethanol

1-<2-(2-hydroxyethyl)phenyl>-2-phenyl-2-propanol

Diisopropyl-((E)-3-phenyl-allyloxy)-(1-phenyl-vinyloxy)-silane

acetophenone

Refernces

• 1、 Chiang, Yvonne,Kresge, A. Jerry,Capponi, Marco,Wirz, Jakob. "Direct Observation of Acetophenone Enol Formed by Photohydration of Phenylacetylene". . p. 1331 - 1332. Retrieved 1986.
• 2、 Chiang, Yvonne,Kresge, A. Jerry,Wirz, Jakob. "Flash-Photolytic Generation of Acetophenone Enol. The Keto-Enol Equilibrium Constant and pKa of Acetophenone in Aqueous Solution". . p. 6392 - 6395. Retrieved 1984.
• 3、 Jefferson, Elizabeth A.,Keeffe, James R.,Kresge, A. Jerry. "Characterization of the indan-1-one keto-enol system". . p. 2041 - 2046. Retrieved 2007/10/03.
• 4、 Chiang, Y.,Kresge, J.,O'Ferrall, R. A. More,Murray, B. A.,Schepp, N. P.,Wirz, J.. "The ketonization of acetophenone enol in concentrated aqueous sulfuric and perchloric acid solutions. Implication on X acidity function correlations of the enolization reaction and determination of the keto-enol equilibrium constant as a function of acidity". . p. 1653 - 1656. Retrieved 2007/10/02.