3-Hydroxybenzyl alcohol

Base Information

• Chemical Name: 3-Hydroxybenzyl alcohol
• CAS No.: 620-24-6
• Molecular Formula: C7H8O2
• Molecular Weight: 124.139
• Hs Code.: 29072900
• European Community (EC) Number: 210-633-6
• NSC Number: 60735
• UNII: H652F6XF7Y
• DSSTox Substance ID: DTXSID20211035
• Nikkaji Number: J1.672A
• Wikidata: Q27102196
• Metabolomics Workbench ID: 49739
• ChEMBL ID: CHEMBL3337531
• Mol file: 620-24-6.mol

Synonyms:3-hydroxybenzyl alcohol;3-methylol phenol;m-hydroxybenzyl alcohol;meta-hydroxybenzyl alcohol

Chemical Property of 3-Hydroxybenzyl alcohol

Chemical Property:

• Appearance/Colour: pink or beige to brown crystalline powder
• Vapor Pressure: 0.00103mmHg at 25°C
• Melting Point: 69-72 °C(lit.)
• Refractive Index: 1.595
• Boiling Point: 289.153 °C at 760 mmHg
• PKA: pK1:9.83 (25°C)
• Flash Point: 147.335 °C
• PSA: 40.46000
• Density: 1.221 g/cm³
• LogP: 0.88450
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: soluble
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 124.052429494
• Heavy Atom Count: 9
• Complexity: 83

Purity/Quality:

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

3-Hydroxybenzyl Alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-41
• Safety Statements: 26-36/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)O)CO
• Uses: 3-Hydroxybenzyl alcohol is used as an intermediate to produce other chemicals like 3-Oxy-1'-acetoxy-1-methyl-benzol.

Technology Process of 3-Hydroxybenzyl alcohol

There total 30 articles about 3-Hydroxybenzyl 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: 100.0%

meta-hydroxybenzaldehyde (100-83-4) → 3-Hydroxybenzyl alcohol (620-24-6)

Guidance literature:

With N-methylpyrrolidine zinc borohydride; In tetrahydrofuran; at 20 ℃; for 0.25h;

DOI:10.1081/SCC-120015705

Reference yield: 97.0%

3-Carboxyphenol (99-06-9) → 3-Hydroxybenzyl alcohol (620-24-6)

Guidance literature:

With sodium tetrahydroborate; Trimethyl borate; dimethyl sulfate; In tetrahydrofuran; at 20 ℃; for 4.5h;

DOI:10.1016/j.tetlet.2008.03.078

Reference yield: 91.0%

ethyl-3-hydroxybenzoate (7781-98-8) → 3-Hydroxybenzyl alcohol (620-24-6)

Guidance literature:

With aluminum (III) chloride; sodium tetrahydroborate; In tetrahydrofuran; at 70 ℃; for 12h; Reagent/catalyst; Inert atmosphere;

upstream raw materials:

meta-hydroxybenzaldehyde

3-Carboxyphenol

methyl 3-hydroxybenzoate

(3-hydroxyphenyl)methyl 2-nitrobenzenesulfenate

Downstream raw materials:

2,4,6-tribromo-3-bromomethyl-phenol

(2-bromo-5-hydroxybenzene)methanol

3-hydroxybenzyl acetate

3-(Dibutyl-ethyl-silanyloxymethyl)-phenol

Refernces

• 1、 Sambher, Shikha,Baskar, Chinnappan,Dhillon, Ranjit S.. "Novel chemoselective reduction of aldehydes in the presence of other carbonyl moieties with thiourea dioxide". . p. 2150 - 2157. Retrieved 2008.
• 2、 Delaram, Behnaz,Gholizadeh, Mostafa,Makari, Faezeh,Nokhbeh, Seyed Reza,Salimi, Alireza. "Synthesis, crystal and structural characterization, Hirshfeld surface analysis and DFT calculations of three symmetrical and asymmetrical phosphonium salts". . . Retrieved 2021/07/01.
• 3、 Al-Mughaid, Hussein,Khazaaleh, Maha. "α-D-Mannoside ligands with a valency ranging from one to three: Synthesis and hemagglutination inhibitory properties". . . Retrieved 2021/07/25.