2-Undecanone - analytical standard , CAS No.112-12-9

CAS: 112-12-9 Cat. No.: U109753 Formula: C₁₁H₂₂O Peso molecolare: 170.29 Beilstein Registry Number: 1749573 Numero EC: 203-937-5 PubChem CID: 8163

QUALITÀ & PUREZZA Analytical standard

Synonyms

methyl n-nonylketone|Enodyl|2-UNDECANONE [FCC]|2-Methylundecanone,(S)|Ketone, methyl nonyl|METHYL N-NONYL KETONE|MOSTIQUE EGX 101|MGK dog AMP MNK|MGK Dog and Cat Repellent|2-Undecanone (natural)|Luparone|METHYL NONYL KETONE [MI]|2-Hendecanone|BioUD|Mgk dog & cat repellent|UNDECANONE|Undecanone-(2)|Methylnonylketone|Nonyl methyl ketone|UNDECANONE, 2-|Methyl nonyl ketone|Methyl-n-nonylketone|2-Oxoundecane|2-UNDECANONE [HSDB]|2-Undecanone|Undecan-2-one|2-UNDECANONE [FHFI]

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

methyl n-nonylketone | Enodyl | 2-UNDECANONE [FCC] | 2-Methylundecanone,(S) | Ketone, methyl nonyl | METHYL N-NONYL KETONE | MOSTIQUE EGX 101 | MGK dog AMP MNK | MGK Dog and Cat Repellent | 2-Undecanone (natural) | Luparone | METHYL NONYL KETONE [MI] | 2-Hendecanone | BioUD | Mgk dog & cat repellent | UNDECANONE | Undecanone-(2) | Methyln Mostra altro

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard analitico

Nomi e identificatori

Sorrisi canonici

CCCCCCCCCC(=O)C

IUPAC Name

undecan-2-one

InChIKey

KYWIYKKSMDLRDC-UHFFFAOYSA-N

INCHI

1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3

Isomeri SMILES

CCCCCCCCCC(=O)C

WGK Germania

2

RTECS

YQ2820000

PubChem CID

8163

Peso molecolare

170.29

Beilstein

1749573

Reaxy-Rn

1749573

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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: a small molecule

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

Obiettivi associati (non umani)

Meloidogyne incognita (862 Activities)

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Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

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Meloidogyne javanica (98 Activities)

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Arvicola amphibius (11 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di congelamento (°C): 12 °C
• Indice di rifrazione: 1.43
• Punto di infiammabilità (°F): 192.2 °F
• Punto di infiammabilità (°C): 88℃
• Punto di ebollizione (°C): 231-232°C
• Punto di fusione (°C): 11-13°C
• Peso molecolare: 170.290 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 170.167 Da
• Monoisotopic Mass: 170.167 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 108.000
• 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