2-Hexadecanone - ≥98% , CAS No.18787-63-8

CAS: 18787-63-8 Cat. No.: H131819 Molecular Weight: 240.42 Beilstein Registry Number: 1769889 EC Number: 242-571-0

GRADE & PURITY ≥98%

Synonyms

2-HEXADECANONE|Hexadecan-2-one|18787-63-8|LW5WI8V19D|Methyl tetradecyl ketone|EINECS 242-571-0|UNII-LW5WI8V19D|BRN 1769889|AI3-33815|2-Hexadecanone, 98%|4-01-00-03393 (Beilstein Handbook Reference)|SCHEMBL308802|CHEMBL3273568|DTXSID10172101|CHEBI:179359|L

Storage

Room temperature

Shipped In

Normal

Overview

It can be used to compose the graphite suspension required for the fabrication of thick-cover spray-printed electrodes by spray-printing process. It alao can be used for the preparation of solid binding matrix (SBM)-based composite electrodes for the construction of simple amperometric biosensor for sensitive detection of various pH-sensitive redox-active compounds.

2-Hexadecanone (Methyl tetradecyl ketone) is a long chain aliphatic ketone. It has been identified as one of the air borne volatile electroantennographic active compound released from the Hoplia equina females (scarab beetle). The analysis was obtained by gas chromatographic analysis. 2-Hexadecanone is reported to inhibit the fatty acid synthetase activity of Holtzman male rat liver. It is reported to reduce the serum cholesterol levels significantly without altering serum triglyceride levels in rats. It is reported as lipophilic compound, found in femoral secretions of male Schreiber′s green lizards, Lacerta schreiberi.

Specifications

Synonyms

2-HEXADECANONE | Hexadecan-2-one | 18787-63-8 | LW5WI8V19D | Methyl tetradecyl ketone | EINECS 242-571-0 | UNII-LW5WI8V19D | BRN 1769889 | AI3-33815 | 2-Hexadecanone, 98% | 4-01-00-03393 (Beilstein Handbook Reference) | SCHEMBL308802 | CHEMBL3273568 | DTXSID10172101 | CHEBI:179359 | L

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753395
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753395
• Canonical Smiles: CCCCCCCCCCCCCCC(=O)C
• IUPAC Name: hexadecan-2-one
• InChIKey: XCXKZBWAKKPFCJ-UHFFFAOYSA-N
• INCHI: 1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3
• Isomeric SMILES: CCCCCCCCCCCCCCC(=O)C
• WGK Germany: 3
• RTECS: MM0300000
• Molecular Weight: 240.42
• Beilstein: 1769889
• Reaxy-Rn: 1769889
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1769889&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
• External Descriptors: Oxygenated hydrocarbons

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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 138-140 °C/2 mmHg (lit.)
• Melt Point(°C): 43-45 °C
• Molecular Weight: 240.420 g/mol
• XLogP3: 6.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 240.245 Da
• Monoisotopic Mass: 240.245 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 163.000
• 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