1-(3-Isopropylphenyl)ethanol

Base Information

• Chemical Name: 1-(3-Isopropylphenyl)ethanol
• CAS No.: 99723-36-1
• Molecular Formula: C₁₁H₁₆O
• Molecular Weight: 164.247
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID80544194
• Nikkaji Number: J1.953.421I
• Mol file: 99723-36-1.mol

Synonyms:99723-36-1;1-(3-isopropylphenyl)ethanol;1-(3-iso-Propylphenyl)ethanol;BENZENEMETHANOL, ALPHA-METHYL-3-(1-METHYLETHYL)-;1-[3-(Propan-2-yl)phenyl]ethan-1-ol;SCHEMBL6055416;1-(3-propan-2-ylphenyl)ethanol;DTXSID80544194;AKOS006325594;SB84696

Chemical Property of 1-(3-Isopropylphenyl)ethanol

Chemical Property:

• PSA: 20.23000
• LogP: 2.86330
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

1-(3-iso-PROPYLPHENYL)ETHANOL ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(3-Isopropylphenyl)ethanol

There total 3 articles about 1-(3-Isopropylphenyl)ethanol 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:

beta-methyl-3-(1-methylethyl)-benzenepropanal (125109-85-5) → 2-[3'-(isopropyl)phenyl]propionic acid + 1-(m-isopropylphenyl)methanol (51473-70-2) + 2-(3-isopropylphenyl)propan-1-ol (54518-11-5) + 3-(3-isopropylphenyl)butanoic acid (1429784-93-9) + C12H16O + 3-isopropylbenzaldehyde (34246-57-6) + 1-(3-isopropyl-phenyl)-ethanol (99723-36-1)

Guidance literature:

With oxygen; In octane; at 40 ℃; under 2250.23 Torr; Temperature; Kinetics; Mechanism;

DOI:10.1016/j.tet.2013.01.034

Reference yield:

1-bromo-3-isopropylbenzene (5433-01-2) → 1-(3-isopropyl-phenyl)-ethanol (99723-36-1)

Guidance literature:

With diethyl ether; lithium; anschliessend Erwaermen mit Acetaldehyd;

DOI:10.4039/Ent133333-3

Reference yield:

1-bromo-3-isopropenylbenzene (25108-58-1) → 1-(3-isopropyl-phenyl)-ethanol (99723-36-1)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium/charcoal; ethyl acetate / Hydrogenation

2: lithium; diethyl ether / anschliessend Erwaermen mit Acetaldehyd

With palladium on activated charcoal; diethyl ether; lithium; ethyl acetate;

DOI:10.4039/Ent133333-3

upstream raw materials:

1-bromo-3-isopropylbenzene

1-bromo-3-isopropenylbenzene

beta-methyl-3-(1-methylethyl)-benzenepropanal

Downstream raw materials:

1-ethynyl-3-isopropyl-benzene

3-isopropyl-styrene

Refernces