2-Heptanone - analytical standard, ≥99.8%(GC) , CAS No.110-43-0

CAS: 110-43-0 Cat. No.: H103827 Fórmula: C₇H₁₄O Peso molecular: 114.19 Beilstein Registry Number: 1699063 Número EC: 203-767-1

GRADE & PURITY Analytical standard, ≥99.8%(GC)

Synonyms

2-HEPTANONE|Heptan-2-one|110-43-0|Methyl pentyl ketone|Butylacetone|Amyl methyl ketone|Methyl amyl ketone|Methyl n-amyl ketone|n-Amyl methyl ketone|n-Pentyl methyl ketone|Pentyl methyl ketone|Methyl n-pentyl ketone|Heptanone|Ketone, methyl pentyl|Amyl-met

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

2-HEPTANONE | Heptan-2-one | 110-43-0 | Methyl pentyl ketone | Butylacetone | Amyl methyl ketone | Methyl amyl ketone | Methyl n-amyl ketone | n-Amyl methyl ketone | n-Pentyl methyl ketone | Pentyl methyl ketone | Methyl n-pentyl ketone | Heptanone | Ketone, methyl pentyl | Amyl-met

Especificaciones y pureza

analytical standard, ≥99.8%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Grado

Patrón analítico

Pureza

≥99.8%(GC)

Nombres e identificadores

Pubchem Sid

504751556

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751556

Sonrisas canónicas

CCCCCC(=O)C

IUPAC Name

heptan-2-one

InChIKey

CATSNJVOTSVZJV-UHFFFAOYSA-N

INCHI

1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3

Isómeros SMILES

CCCCCC(=O)C

WGK Alemania

1

RTECS

MJ5075000

Número ONU

1110

Grupo de embalaje

III

Peso molecular

114.19

Beilstein

1699063

Reaxy-Rn

1699063

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699063&ln=

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: 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

Objetivos asociados (humanos)

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water, miscible in most organic solvents.
• Índice de refracción: 1.408
• Punto de inflamación (°C): 39℃
• Punto de ebullición (°C): 151.5°C
• Punto de fusión (°C): -35.5°C
• Peso molecular: 114.190 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 114.104 Da
• Monoisotopic Mass: 114.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 66.800
• 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥99.8% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 110-43-0, the molecular formula is C7H14O, and the molecular weight is 114.19 g/mol. InChIKey CATSNJVOTSVZJV-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.