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

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

CALIDAD & PUREZA 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

Especificaciones

Sinónimos

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 Show more

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Patrón analítico

Nombres e identificadores

Sonrisas canónicas

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

Isómeros SMILES

CCCCCCCCCC(=O)C

WGK Alemania

2

RTECS

YQ2820000

PubChem CID

8163

Peso molecular

170.29

Beilstein

1749573

Reaxy-Rn

1749573

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (no humanos)

Meloidogyne incognita (862 Activities)

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

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

Discover Target: Trpa1

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

Meloidogyne javanica (98 Activities)

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

Arvicola amphibius (11 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de congelación (°C): 12 °C
• Índice de refracción: 1.43
• Punto de inflamación (°F): 192.2 °F
• Punto de inflamación (°C): 88℃
• Punto de ebullición (°C): 231-232°C
• Punto de fusión (°C): 11-13°C
• Peso molecular: 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