5-Hexen-2-one - ≥98% , CAS No.109-49-9

CAS: 109-49-9 Cat. No.: H113634 Summenformel: C₆H₁₀O Molekulargewicht: 98.14 Beilstein Registry Number: 1699137 EG-Nummer: 203-675-1

GRADE & PURITY ≥98%

Synonyms

EN300-89941 | LMFA12000035 | 1-hexene-5-one | UNII-XWM6RL9YEI | hex-5-en-2-one | 1-Hexen-5-one | D90803 | InChI=1/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H | J-521432 | 5-Hexen-2-one, 99% | 5-Hexene-2-one | AM84335 | Z406376894 | AI3-21995 | Q24816828 | EINECS

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Übersicht

Allyl Acetone is used as a nature identical flavor and fragrance. And it is also used to produce 2-methyl-hex-5-en-2-ol.

Specifications

Synonyme

EN300-89941 | LMFA12000035 | 1-hexene-5-one | UNII-XWM6RL9YEI | hex-5-en-2-one | 1-Hexen-5-one | D90803 | InChI=1/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H | J-521432 | 5-Hexen-2-one, 99% | 5-Hexene-2-one | AM84335 | Z406376894 | AI3-21995 | Q24816828 | EINECS

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice,FedEx DG Service

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504751535
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751535
• Kanonisches Lächeln: CC(=O)CCC=C
• IUPAC Name: hex-5-en-2-one
• InChIKey: RNDVGJZUHCKENF-UHFFFAOYSA-N
• INCHI: 1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3
• Isomere SMILES: CC(=O)CCC=C
• WGK Deutschland: 3
• UN-Nummer: 1224
• Verpackungsgruppe: III
• Molekulargewicht: 98.14
• Beilstein: 1699137
• Reaxy-Rn: 1699137
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699137&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water.
• Empfindlichkeit: Air & Heat Sensitive
• Brechungsindex: 1.419
• Flammpunkt (°F): 75.2 °F
• Flammpunkt (°C): 24 °C
• Siedepunkt (°C): 128-129°C
• Molekulargewicht: 98.140 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 98.0732 Da
• Monoisotopic Mass: 98.0732 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 74.200
• 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

Häufig gestellte Fragen

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 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 109-49-9, the molecular formula is C6H10O, and the molecular weight is 98.14 g/mol. InChIKey RNDVGJZUHCKENF-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.