p-Acetoxybenzyl alcohol

Base Information

• Chemical Name: p-Acetoxybenzyl alcohol
• CAS No.: 6309-46-2
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 2915390090
• European Community (EC) Number: 694-374-8
• NSC Number: 42564
• UNII: DVR9D9HM52
• DSSTox Substance ID: DTXSID50212414
• Nikkaji Number: J1.151.651C
• Wikidata: Q83087544
• Mol file: 6309-46-2.mol

Synonyms:4-acetoxybenzyl alcohol;6309-46-2;p-Acetoxybenzyl alcohol;4-(hydroxymethyl)phenyl acetate;[4-(hydroxymethyl)phenyl] acetate;Benzenemethanol, 4-(acetyloxy)-;4-(acetyloxy)benzenemethanol;AI3-31974;NSC-42564;CCRIS 5113;NSC 42564;p-(acetyloxy)benzyl alcohol;NSC42564;4-acetoxybenzylalcohol;4-acetoxy-benzylalcohol;DVR9D9HM52;4-hydroxymethylphenol acetate;SCHEMBL95879;p-(acetyloxy)-benzyl alcohol;4-Acetoxybenzyl alcohol, 97%;benzyl-alcohol,p-hydroxy-,acetate;DTXSID50212414;CHEBI:156306;FKMVNGWJGSSDCF-UHFFFAOYSA-N;MFCD02752162;AKOS015891028;4-Dimethylamino-5-methylsalicylaldehyde;Acetic acid 4-hydroxymethylphenyl ester;acetic acid 4-(hydroxymethyl)phenyl ester;PS-11646;CS-0163167;D80495

Chemical Property of p-Acetoxybenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.000997mmHg at 25°C
• Melting Point: 37-42℃
• Refractive Index: 1.537
• Boiling Point: 289.7 °C at 760 mmHg
• Flash Point: 126.1 °C
• PSA: 46.53000
• Density: 1.179 g/cm³
• LogP: 1.10420
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)CO

Technology Process of p-Acetoxybenzyl alcohol

There total 20 articles about p-Acetoxybenzyl alcohol 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: 95.0%

4-formylphenyl acetate (878-00-2) → 4-acetoxybenzyl alcohol (6309-46-2)

Guidance literature:

With sodium tetrahydroborate; phosphoric acid; In methanol; at -5 ℃;

DOI:10.3762/bjoc.12.51

Reference yield: 94.0%

4-(((tert-butyldimethylsilyl)oxy)methyl)phenyl acetate → 4-acetoxybenzyl alcohol (6309-46-2)

Guidance literature:

With water; In dimethyl sulfoxide; at 80 ℃; for 16h; Inert atmosphere; Schlenk technique;

Reference yield: 92.7%

vinyl acetate (108-05-4,9003-20-7) + (4-hydroxyphenyl)methanol (623-05-2) → 4-acetoxybenzyl alcohol (6309-46-2) + 4-(acetyloxy)benzyl acetate (2937-64-6)

Guidance literature:

With rubidium fluoride; In acetonitrile; at 80 ℃; for 0.5h;

DOI:10.1007/s00706-013-1019-2

upstream raw materials:

(4-hydroxyphenyl)methanol

1-acetyl-1H-1,2,3-triazolo<4,5-b>pyridine

2,2'-bipyridyl-6-yl acetate

Acetic acid 4-trimethylsilanyloxymethyl-phenyl ester

Downstream raw materials:

di(4-acetoxybenzyl) methylphosphonate

4-{[({[4-(acetyloxy)phenyl]methoxy}[bis(propan-2-yl)amino]phosphanyl)oxy]methyl}phenyl acetate

4-acetoxybenzyl bromide

4-acetoxybenzyl chloride