2-Naphthyl caprylate - ≥98% , CAS No.10251-17-9

CAS: 10251-17-9 Cat. No.: N331644 Formula: C₁₈H₂₂O₂ Molecular Weight: 270.37 EC Number: 233-591-0

GRADE & PURITY ≥98%

Synonyms

2-Naphthyl caprylate | beta-NAPHTHYL CAPRYLATE | NCIOpen2_002548 | NSC 60371 | 2-naphthylcaprylate | F81521 | N-2220 | 2-Naphthyl octanoate | .BETA.-NAPHTHYL CAPRYLATE | CHEBI:90250 | Octanoic acid, 2-naphthalenyl ester | Pentafluorophenyl methacrylate,95

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

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.

Specifications

Synonyms

2-Naphthyl caprylate | beta-NAPHTHYL CAPRYLATE | NCIOpen2_002548 | NSC 60371 | 2-naphthylcaprylate | F81521 | N-2220 | 2-Naphthyl octanoate | .BETA.-NAPHTHYL CAPRYLATE | CHEBI:90250 | Octanoic acid, 2-naphthalenyl ester | Pentafluorophenyl methacrylate,95

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Pubchem Sid

508816607

Canonical Smiles

CCCCCCCC(=O)OC1=CC2=CC=CC=C2C=C1

IUPAC Name

naphthalen-2-yl octanoate

InChIKey

CXVZBUOSDMLXNK-UHFFFAOYSA-N

INCHI

1S/C18H22O2/c1-2-3-4-5-6-11-18(19)20-17-13-12-15-9-7-8-10-16(15)14-17/h7-10,12-14H,2-6,11H2,1H3

Isomeric SMILES

CCCCCCCC(=O)OC1=CC2=CC=CC=C2C=C1

Molecular Weight

270.37

Reaxy-Rn

2531149

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2531149&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Fatty acid esters Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water (Partly Miscible).
• Refractive Index: n20D1.55
• Melt Point(°C): 47-51° C
• Molecular Weight: 270.400 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 270.162 Da
• Monoisotopic Mass: 270.162 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 287.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1