2-Hydroxyethyl 4-hydroxybenzoate

Base Information

• Chemical Name: 2-Hydroxyethyl 4-hydroxybenzoate
• CAS No.: 2496-90-4
• Molecular Formula: C9H10O4
• Molecular Weight: 182.176
• Hs Code.: 2918290000
• European Community (EC) Number: 691-462-8
• NSC Number: 107837
• UNII: WGI1Z327U0
• DSSTox Substance ID: DTXSID00296123
• Nikkaji Number: J208.617D
• Wikidata: Q27292625
• Mol file: 2496-90-4.mol

Synonyms:2-Hydroxyethyl 4-hydroxybenzoate;2496-90-4;4-Hydroxybenzoic Acid 2-Hydroxyethyl Ester;Ethylene glycol MONO-4-hydroxybenzoate;WGI1Z327U0;4-Hydroxybenzoic acid, 2-hydroxyethyl ester;NSC-107837;UNII-WGI1Z327U0;2-Hydroxyethyl4-Hydroxybenzoate;2-Hydroxyethyl p-hydroxybenzoate;2-Hydroxyethylparaben;Benzoic acid, 4-hydroxy-, 2-hydroxyethyl ester;SCHEMBL2488148;DTXSID00296123;2-Hydroxyethyl 4-hydroxybenzoate #;MFCD00059079;NSC107837;DS-2975;NSC 107837;SB83920;CS-0450113;FT-0691708;H0698;2-Hydroxyethyl 4-hydroxybenzoate, AldrichCPR;4-hydroxybenzoic acid (2-hydroxyethyl) ester;p-hydroxylbenzoic acid-beta-hydroxyethyl ester;D90933;A877754;Q27292625

Chemical Property of 2-Hydroxyethyl 4-hydroxybenzoate

Chemical Property:

• Vapor Pressure: 3.85E-06mmHg at 25°C
• Melting Point: 141 °C
• Refractive Index: 1.573
• Boiling Point: 370.4 °C at 760 mmHg
• PKA: 8.07±0.15(Predicted)
• Flash Point: 152.7 °C
• PSA: 66.76000
• Density: 1.303 g/cm³
• LogP: 0.54130
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 182.05790880
• Heavy Atom Count: 13
• Complexity: 161

Purity/Quality:

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

2-Hydroxyethyl 4-Hydroxybenzoate >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)OCCO)O

Technology Process of 2-Hydroxyethyl 4-hydroxybenzoate

There total 7 articles about 2-Hydroxyethyl 4-hydroxybenzoate 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:

Ethyl 4-hydroxybenzoate (120-47-8) → 3,4-Dihydroxybenzoic acid (99-50-3) + 4-hydroxysalicylic acid (89-86-1) + 4-hydroxybenzoic acid 2-hydroxyethyl ester (2496-90-4) + C9H10O4 + methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) + 4-hydroxy-benzoic acid (99-96-7)

Guidance literature:

UV-irradiation;

DOI:10.1016/j.cattod.2016.06.008

Reference yield:

4-Ethoxycarbonyloxybenzoic acid (15552-32-6) → 4-hydroxybenzoic acid 2-hydroxyethyl ester (2496-90-4)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂

2: 1,2-dichloro-ethane

3: aq.-ethanolic NaOH

With sodium hydroxide; thionyl chloride; 1,2-dichloro-ethane;

Reference yield:

4-Ethoxycarbonyloxybenzoyl chloride (57045-26-8) → 4-hydroxybenzoic acid 2-hydroxyethyl ester (2496-90-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,2-dichloro-ethane

2: aq.-ethanolic NaOH

With sodium hydroxide; 1,2-dichloro-ethane;

upstream raw materials:

2-chloro-ethanol

4-Ethoxycarbonyloxybenzoic acid

4-Ethoxycarbonyloxybenzoyl chloride

Ethyl 4-hydroxybenzoate

Downstream raw materials:

2-hydroxyethyl 4-(1,1,2-trifluoro-2-(1,1,2,3,3,3-hexafluoro-2-(perfluoropropoxy)propoxy)ethoxy)benzoate

Refernces