1,4-Bis(2-hydroxyethyl)benzene

Base Information

• Chemical Name: 1,4-Bis(2-hydroxyethyl)benzene
• CAS No.: 5140-03-4
• Molecular Formula: C10H14O2
• Molecular Weight: 166.22
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID60407516
• Nikkaji Number: J1.149.278I
• Wikidata: Q82212802
• Mol file: 5140-03-4.mol

Synonyms:1,4-Bis(2-hydroxyethyl)benzene;1,4-Benzenediethanol;5140-03-4;2-[4-(2-hydroxyethyl)phenyl]ethanol;2,2'-(1,4-phenylene)diethanol;MFCD00666548;1,4-Phenylenediethanol;2-[4-(2-hydroxyethyl)phenyl]ethan-1-ol;2,2'-p-phenylenediethanol;SCHEMBL40656;DTXSID60407516;LBZZJNPUANNABV-UHFFFAOYSA-N;AKOS005256270;1,4-Bis(2-hydroxyethyl)benzene, AldrichCPR;B2295;CS-0207145;FT-0635558;T70987

Chemical Property of 1,4-Bis(2-hydroxyethyl)benzene

Chemical Property:

• Melting Point: 88 °C
• Boiling Point: 193 °C / 11mmHg
• PKA: 14.58±0.10(Predicted)
• Flash Point: 150.7oC
• PSA: 40.46000
• Density: 1.107g/cm3
• LogP: 0.75620
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 92.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,4-Bis(2-hydroxyethyl)benzene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCO)CCO

Technology Process of 1,4-Bis(2-hydroxyethyl)benzene

There total 11 articles about 1,4-Bis(2-hydroxyethyl)benzene 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: 94.0%

(4-methoxycarbonylmethylphenyl)acetic acid methyl ester (36076-25-2) → 2-[4-(2-hydroxyethyl)phenyl]ethan-1-ol (5140-03-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 23 ℃; for 16h;

DOI:10.1016/j.bmc.2016.07.053

Reference yield: 92.0%

1,4-phenylenediacetic acid (7325-46-4) → 2-[4-(2-hydroxyethyl)phenyl]ethan-1-ol (5140-03-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Ambient temperature;

DOI:10.1021/jo00003a050

Reference yield: 84.0%

diethyl 2,2'-(1,4-phenylene)diacetate (36076-26-3) → 2-[4-(2-hydroxyethyl)phenyl]ethan-1-ol (5140-03-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 3h; Heating;

DOI:10.1021/jo051948k

upstream raw materials:

2-methylbenzene-1,4-diol

diethyl 2,2'-(1,4-phenylene)diacetate

1,4-diethylbenzene

1,4-phenylenediacetic acid

Downstream raw materials:

1,4-Divinylbenzene

1,4-bis-(2-bromoethyl)benzene

1,4-bis(2-chloroethyl)benzene

1,4-bis-(2-ethoxycarbonyloxy-ethyl)-benzene