4-Octanone - ≥98% , CAS No.589-63-9

CAS: 589-63-9 Cat. No.: O160045 分子式: C₈H₁₆O 分子量: 128.22 Beilstein Registry Number: 1(4)3342 EC番号: 209-655-9

グレード＆純度 ≥98%

Synonyms

EINECS 209-655-9 | O0218 | DTXSID40207637 | 4-OCTANONE | T72667 | Q20054538 | MFCD00027241 | propyl butyl ketone | n-C4H9COCH2CH2CH3 | SCHEMBL109288 | NSC 43245 | Octan-4-one | FT-0632455 | AKOS009159007 | Butyl propyl ketone | Propyl n-butyl ketone | EN3

Storage

Protected from light,Room temperature

Shipped In

Normal

仕様

同義語

EINECS 209-655-9 | O0218 | DTXSID40207637 | 4-OCTANONE | T72667 | Q20054538 | MFCD00027241 | propyl butyl ketone | n-C4H9COCH2CH2CH3 | SCHEMBL109288 | NSC 43245 | Octan-4-one | FT-0632455 | AKOS009159007 | Butyl propyl ketone | Propyl n-butyl ketone | EN3

仕様と純度

≥98%

保管条件

Protected from light,Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

504752147

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504752147

カノニカル・スマイル

CCCCC(=O)CCC

IUPAC Name

octan-4-one

InChIKey

YWXLSHOWXZUMSR-UHFFFAOYSA-N

INCHI

1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3-7H2,1-2H3

異性体SMILES

CCCCC(=O)CCC

分子量

128.22

Beilstein

1(4)3342

Reaxy-Rn

1700025

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700025&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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: Not available

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

化学的性質と物理的性質

• 感度: Light sensitive
• 屈折率: 1.41
• 引火点（°C）: 54 °C
• 沸点（°C）: 166°C
• 分子量: 128.210 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 128.12 Da
• Monoisotopic Mass: 128.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 76.600
• 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

よくある質問

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, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 589-63-9, the molecular formula is C8H16O, and the molecular weight is 128.22 g/mol. InChIKey YWXLSHOWXZUMSR-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.