4-Octanone - ≥98% , CAS No.589-63-9

CAS: 589-63-9 Cat. No.: O160045 Formule: C₈H₁₆O Poids moléculaire: 128.22 Beilstein Registry Number: 1(4)3342 Numéro CE: 209-655-9

QUALITÉ & PURETÉ ≥98%

Synonyms

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

Storage

Protected from light,Room temperature

Shipped In

Normal

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504752147

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

CCCCC(=O)CCC

Poids moléculaire

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
    • 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Indice de réfraction: 1.41
• Point d'éclair (°C): 54 °C
• Point d'ébullition (°C): 166°C
• Poids moléculaire: 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

Foire aux questions

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.