Amylmetacresol

Base Information

• Chemical Name: Amylmetacresol
• CAS No.: 1300-94-3
• Deprecated CAS: 53043-14-4
• Molecular Formula: C12H18O
• Molecular Weight: 178.274
• Hs Code.: 2907199090
• European Community (EC) Number: 215-094-0
• UNII: 05W904P57F
• DSSTox Substance ID: DTXSID8046791
• Nikkaji Number: J118.441E
• Wikipedia: Amylmetacresol
• Wikidata: Q1946346
• NCI Thesaurus Code: C80846
• Metabolomics Workbench ID: 56910
• ChEMBL ID: CHEMBL1512677
• Mol file: 1300-94-3.mol

Synonyms:amylmetacresol

Chemical Property of Amylmetacresol

Chemical Property:

• Vapor Pressure: 0.00348mmHg at 25°C
• Melting Point: 24°C
• Refractive Index: 1.516
• Boiling Point: 273.2 °C at 760 mmHg
• PKA: 10.55±0.35(Predicted)
• Flash Point: 125.3 °C
• PSA: 20.23000
• Density: 0.955g/cm³
• LogP: 3.43330
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Practically insoluble in water, very soluble in acetone and in ethanol (96 per cent).
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 133

Purity/Quality:

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

Amylmetacresol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=C(C=C(C=C1)C)O
• Recent EU Clinical Trials: A randomised, double blind, placebo-controlled, parallel group, single dose study of the efficacy of a flavoured variant of Strepsils Throat Lozenge in the relief of dry and irritated sore throat due to upper respiratory tract infection or environmental factors.
• Uses: Antiseptic. Amylmetacresol is an antiseptic available in Canada over-the-counter in a number of lozenges for the treatment of sore throat and minor mouth infections,. Amylmetacresol is often combined with dichlorobenzyl alcohol and menthol in the commonly used sore throat lozenges, known as Strepsils. The acute sore throat (pharyngitis) is one of the most common conditions for which children are seen in the primary care setting. Pharyngitis is normally caused by viruses and proves benign and self-limiting. Clinically proven, over-the-counter throat lozenges offer rapid and effective relief of acute sore throat symptoms, and are increasingly important in the management of this condition.

Technology Process of Amylmetacresol

There total 4 articles about Amylmetacresol 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:

1-(2-hydroxy-4-methyl-phenyl)-pentan-1-one (173851-66-6) → 5-methyl-2-pentylphenol (1300-94-3,53043-14-4)

Guidance literature:

With hydrogen; citric acid; 5%-palladium/activated carbon; In isopropyl alcohol; at 12.5 ℃; for 16h; under 525.053 Torr; Product distribution / selectivity;

Reference yield:

n-valeryl chloride (638-29-9) + 3-methyl-phenol (108-39-4) → 5-methyl-2-pentylphenol (1300-94-3,53043-14-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 2 h / 35 - 80 °C

1.2: 7 h / 110 °C

2.1: hydrogen; citric acid / 5%-palladium/activated carbon / isopropyl alcohol / 16 h / 12.5 °C / 525.05 Torr

With hydrogen; citric acid; 5%-palladium/activated carbon; In isopropyl alcohol;

Reference yield:

pentanoic anhydride (2082-59-9) + 3-methyl-phenol (108-39-4) → 5-methyl-2-pentylphenol (1300-94-3,53043-14-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 1.5 h / 35 - 80 °C

1.2: 7 h / 110 °C

2.1: hydrogen; citric acid / 5%-palladium/activated carbon / isopropyl alcohol / 16 h / 12.5 °C / 525.05 Torr

With hydrogen; citric acid; 5%-palladium/activated carbon; In isopropyl alcohol;

upstream raw materials:

n-valeryl chloride

3-methyl-phenol

pentanoic anhydride

1-(2-hydroxy-4-methyl-phenyl)-pentan-1-one

Refernces