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

CAS: 112-12-9 Cat. No.: U109753 분자식: C₁₁H₂₂O 분자량: 170.29 Beilstein Registry Number: 1749573 EC 번호: 203-937-5 PubChem CID: 8163

등급 & 순도 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

사양

동의어

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

사양 및 순도

analytical standard

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

이름과 식별자

정식 스마일

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

이성체 SMILES

CCCCCCCCCC(=O)C

WGK 독일

2

RTECS

YQ2820000

PubChem CID

8163

분자량

170.29

Beilstein

1749573

Reaxy-Rn

1749573

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 동결점(°C): 12 °C
• 굴절률: 1.43
• 발화점(°F): 192.2 °F
• 발화점(°C): 88℃
• 끓는점(°C): 231-232°C
• 녹는점(°C): 11-13°C
• 분자량: 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