2-(3-Hydroxypropyl)phenol

Base Information

• Chemical Name: 2-(3-Hydroxypropyl)phenol
• CAS No.: 1481-92-1
• Molecular Formula: C9H12 O2
• Molecular Weight: 152.193
• NSC Number: 105514
• DSSTox Substance ID: DTXSID70295784
• Nikkaji Number: J113.995I
• Wikidata: Q82035939
• Mol file: 1481-92-1.mol

Synonyms:2-(3-hydroxypropyl)phenol;1481-92-1;2-(3-HYDROXY-PROPYL)-PHENOL;Benzenepropanol, 2-hydroxy-;1-Propanol, 3-(o-hydroxyphenyl)-;NSC105514;2-Hydroxy-benzenepropanol;3-(hydroxyphenyl)propanol;3-(o-Hydroxyphenyl)propanol;SCHEMBL169275;DTXSID70295784;TYNMOIYXEIAPHL-UHFFFAOYSA-N;3-(-o-hydroxyphenyl)-1-propanol;AKOS006290824;NSC-105514;SB83948;CS-0269582;FT-0741377;EN300-1869820;A808744;J-505796

Chemical Property of 2-(3-Hydroxypropyl)phenol

Chemical Property:

• Vapor Pressure: 0.000655mmHg at 25°C
• Boiling Point: 296.3°Cat760mmHg
• PKA: 10.28±0.30(Predicted)
• Flash Point: 145°C
• PSA: 40.46000
• Density: 1.129g/cm³
• LogP: 1.31710
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

97% ^*data from raw suppliers

2-(3-Hydroxypropyl)phenol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(3-Hydroxypropyl)phenol

There total 30 articles about 2-(3-Hydroxypropyl)phenol 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: 99.0%

C6H4(CH2CH2C(O)O) (119-84-6,1341-36-2) → 2-(3-hydroxypropyl)phenol (1481-92-1)

Guidance literature:

With diisobutylaluminium hydride; In toluene; at 20 ℃; for 0.333333h;

DOI:10.1039/p19960002249

Reference yield: 99.0%

4-hydroxyphenylpropionic acid (501-97-3) → 2-(3-hydroxypropyl)phenol (1481-92-1)

Guidance literature:

With borane-THF; Trimethyl borate; In tetrahydrofuran; at 0 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.bmcl.2017.12.046

Reference yield: 90.0%

coumarin (91-64-5) → 2-(3-hydroxypropyl)phenol (1481-92-1)

Guidance literature:

With ethanol; ammonia; sodium; In tetrahydrofuran; at -78 ℃;

upstream raw materials:

coumarin

C₆H₄(CH₂CH₂C(O)O)

3-(o-acetoxyphenyl)propyl acetate

1-methoxy-2-(3-methoxy-propyl)-benzene

Downstream raw materials:

2-(3-hydroxypropyl)cyclohexan-1-ol

3-(2-methoxyphenyl)propan-1-ol

3-(o-diphenylphosphinylmethoxyphenyl)propanol

C₆H₄(CH₂CH₂C(O)O)