4-Isopropoxybenzyl alcohol

Base Information

• Chemical Name: 4-Isopropoxybenzyl alcohol
• CAS No.: 82657-71-4
• Molecular Formula: C10H14O2
• Molecular Weight: 166.22
• Hs Code.: 2909499000
• European Community (EC) Number: 820-141-9
• NSC Number: 69077
• DSSTox Substance ID: DTXSID70290512
• Nikkaji Number: J2.501.241K
• Wikidata: Q82028223
• Mol file: 82657-71-4.mol

Synonyms:82657-71-4;4-Isopropoxybenzyl alcohol;(4-isopropoxyphenyl)methanol;[4-(propan-2-yloxy)phenyl]methanol;(4-propan-2-yloxyphenyl)methanol;(4-isopropoxy-phenyl)-methanol;Benzenemethanol, 4-(1-methylethoxy)-;4-(1-METHYLETHOXY)-BENZENEMETHANOL;NSC69077;NCIOpen2_000569;SCHEMBL728462;DTXSID70290512;4-(1-Isopropyloxy)benzenemethanol;4-(1-Methylethoxy)benzenemethanol;MFCD06202646;NSC 69077;NSC-69077;AKOS000249496;AS-37943;AM20041212;CS-0171967;EN300-51221;A915558;Z54549633

Chemical Property of 4-Isopropoxybenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.00304mmHg at 25°C
• Melting Point: 27-28 °C
• Boiling Point: 272.1°Cat760mmHg
• PKA: 14.68±0.10(Predicted)
• Flash Point: 114°C
• PSA: 29.46000
• Density: 1.034g/cm³
• LogP: 1.96610
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 115

Purity/Quality:

97% ^*data from raw suppliers

4-IsopropoxybenzylAlcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Isopropoxybenzyl alcohol

There total 7 articles about 4-Isopropoxybenzyl 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: 98.0%

ethyl 4-isopropoxybenzoate (122488-52-2) → (4-isopropoxyphenyl)methanol (82657-71-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2h; Reflux;

Reference yield: 97.0%

4-isopropoxybenzaldehyde (18962-05-5) → (4-isopropoxyphenyl)methanol (82657-71-4)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 4.1h; chemoselective reaction;

DOI:10.1016/j.tetlet.2015.09.154

Reference yield:

(4-hydroxyphenyl)methanol (623-05-2) + isopropyl bromide (75-26-3) → (4-isopropoxyphenyl)methanol (82657-71-4)

Guidance literature:

(4-hydroxyphenyl)methanol; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

isopropyl bromide; In N,N-dimethyl-formamide; for 18h;

In N,N-dimethyl-formamide; pH=6.5; Aqueous phosphate buffer;

upstream raw materials:

ethyl 4-isopropoxybenzoate

(4-isopropylbenzaldehyde)

Ethyl 4-hydroxybenzoate

4-isopropoxybenzaldehyde

Downstream raw materials:

1-(Chloromethyl)-4-(1-methylethoxy)benzene

1-(bromomethyl)-4-isopropoxybenzene

[2-(4-isopropoxybenzyloxy)phenoxy]acetic acid methyl ester

[2-(4-isopropoxybenzyloxy)phenoxy]acetic acid