2-Decanone - ≥98% , CAS No.693-54-9

CAS: 693-54-9 Cat. No.: D464910 Fórmula: CH₃(CH₂)₇COCH₃ Peso molecular: 156.27 Beilstein Registry Number: 1747463 Número CE: 211-752-6

GRAU & PUREZA ≥98%

Synonyms

CHEBI:77929 | 2-Decanone, 98% | GX543OLT0R | A836446 | Octyl methyl ketone | CAS-693-54-9 | AKOS009158912 | EN300-170618 | Q20054515 | FT-0612135 | n-C8H17COCH3 | BRN 1747463 | 2-Decanone, >=98% | SCHEMBL103053 | EINECS 211-752-6 | 2-Decanone, analytical

Storage

Room temperature

Especificações

Sinónimos

CHEBI:77929 | 2-Decanone, 98% | GX543OLT0R | A836446 | Octyl methyl ketone | CAS-693-54-9 | AKOS009158912 | EN300-170618 | Q20054515 | FT-0612135 | n-C8H17COCH3 | BRN 1747463 | 2-Decanone, >=98% | SCHEMBL103053 | EINECS 211-752-6 | 2-Decanone, analytical

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504752387

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752387

Sorrisos canónicos

CCCCCCCCC(=O)C

IUPAC Name

decan-2-one

InChIKey

ZAJNGDIORYACQU-UHFFFAOYSA-N

INCHI

1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3

SMILES isoméricas

CCCCCCCCC(=O)C

Peso molecular

156.27

Beilstein

1747463

Reaxy-Rn

1747463

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747463&ln=

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
• Descrição: 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

Alvos associados (humanos)

CES2 Tchem Carboxylesterase 2 (583 Activities)

Discover Target: CES2

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

Alvos associados (não humanos)

Carboxylesterase (379 Activities)

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

Jhe CG8425-PA [Drosophila melanogaster] (21 Activities)

Discover Target: Jhe

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

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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.43
• Ponto de inflamação (°F): 187°F
• Ponto de inflamação (°C): 86℃
• Ponto de ebulição (°C): 210-212℃
• Ponto de fusão (°C): 3℃
• Peso molecular: 156.260 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 156.151 Da
• Monoisotopic Mass: 156.151 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 97.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 693-54-9, the molecular formula is C10H20O, and the molecular weight is 156.27 g/mol. InChIKey ZAJNGDIORYACQU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.