2-Naphthyl caprylate

Base Information

• Chemical Name: 2-Naphthyl caprylate
• CAS No.: 10251-17-9
• Molecular Formula: C18H22O2
• Molecular Weight: 270.371
• Hs Code.: 29159000
• European Community (EC) Number: 233-591-0
• NSC Number: 60371
• UNII: 1101EWX9DW
• DSSTox Substance ID: DTXSID70145235
• Nikkaji Number: J227.139G
• Wikidata: Q27162426
• Mol file: 10251-17-9.mol

Synonyms:2-naphthyl caprylate;beta-naphthyl caprylate

Chemical Property of 2-Naphthyl caprylate

Chemical Property:

• Appearance/Colour: White to off-white crystalline powder
• Vapor Pressure: 2.01E-06mmHg at 25°C
• Refractive Index: 1.552
• Boiling Point: 394.2 °C at 760 mmHg
• Flash Point: 130.3 °C
• PSA: 26.30000
• Density: 1.039 g/cm³
• LogP: 5.10570
• Storage Temp.: 2-8°C
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 270.161979940
• Heavy Atom Count: 20
• Complexity: 287

Purity/Quality:

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

2-Naphthyl caprylate ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OC1=CC2=CC=CC=C2C=C1
• Uses: 2-Naphthyl caprylate is a chromogenic substrate. 2-Naphthyl caprylateis a chromogenic substrate for CES (carboxylesterase) and lipase. 2-naphthol is released upon hydrolyzation. By simultaneous coupling with a diazonium salt, the corresponding azo-dye is formed. Naphthols can also be detected by fluorescence analysis. Used in an colorimetric assay for the extracellular lipase of Pseudomonas fluorescens B52.

Technology Process of 2-Naphthyl caprylate

There total 2 articles about 2-Naphthyl caprylate 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: 91.0%

Octanoic acid (124-07-2) + β-naphthol (135-19-3) → naphthalen-2-yl octanoate (10251-17-9)

Guidance literature:

Octanoic acid; With (E)-ethyl 2-cyano-2-(2-nitrophenylsulfonyloxyimino)acetate; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 25 ℃;

β-naphthol; In dichloromethane; at 25 ℃; for 3h;

DOI:10.1021/jo500292m

Reference yield:

→ naphthalen-2-yl octanoate (10251-17-9)

Guidance literature:

/BRN= 2530076/;

upstream raw materials:

Octanoic acid

β-naphthol

Refernces