Octan-2-yl 2-cyanoacrylate - ≥95%, stabilized with HQ , Skin adhesive, CAS No.133978-15-1, Skin adhesive

CAS: 133978-15-1 Cat. No.: O587013 Molecular Weight: 209.28 EC Number: 700-845-1

GRADE & PURITY ≥95%, stabilized with HQ

Synonyms

2-OCTYL CYANOACRYLATE

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Octan-2-yl 2-cyanoacrylate is a cyanoacrylate compound widely used in industrial and medical fields as a fast curing adhesive or tissue bonding agent.

Specifications

Synonyms

2-OCTYL CYANOACRYLATE

Specifications & Purity

≥95%, stabilized with HQ

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Mechanism of action

Skin adhesive

Purity

≥95%

Product Properties

• ALogP: 3.9

Names and Identifiers

• Canonical Smiles: CCCCCCC(C)OC(=O)C(=C)C#N
• IUPAC Name: octan-2-yl 2-cyanoprop-2-enoate
• InChIKey: CQVWXNBVRLKXPE-UHFFFAOYSA-N
• INCHI: 1S/C12H19NO2/c1-4-5-6-7-8-11(3)15-12(14)10(2)9-13/h11H,2,4-8H2,1,3H3
• Isomeric SMILES: CCCCCCC(C)OC(=O)C(=C)C#N
• Molecular Weight: 209.28
• Reaxy-Rn: 11343617
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11343617&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Alpha,beta-unsaturated carboxylic esters
            • Level7 Enoate esters
              • Level8 Cyanoacrylates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters - Enoate esters
• Direct Parent: Cyanoacrylates
• Alternative Parents: Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Cyanoacrylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as cyanoacrylates. These are organonitrogen compounds containing an acrylic acid ester, which carries a nitrile group. They have the general structure ROC(=O)C(=C)C#N, where R is an organic group.
• 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

• Sensitivity: Hygroscopic
• Molecular Weight: 209.280 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 209.142 Da
• Monoisotopic Mass: 209.142 Da
• Topological Polar Surface Area: 50.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 262.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1