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

CAS: 109-49-9 Cat. No.: H113634 Formule: C₆H₁₀O Poids moléculaire: 98.14 Beilstein Registry Number: 1699137 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice,FedEx DG Service

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504751535

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751535

Sourires canoniques

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

Isomères SMILES

CC(=O)CCC=C

WGK Allemagne

3

Numéro ONU

1224

Groupe d'emballage

III

Poids moléculaire

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
    • 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: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water.
• Sensibilité: Air & Heat Sensitive
• Indice de réfraction: 1.419
• Point d'éclair (°F): 75.2 °F
• Point d'éclair (°C): 24 °C
• Point d'ébullition (°C): 128-129°C
• Poids moléculaire: 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

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 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.