5-Methyl-5-hexen-2-one - ≥99% , CAS No.3240-09-3

CAS: 3240-09-3 Cat. No.: M474293 Formule: H₂C=C(CH₃)CH₂CH₂COCH₃ Poids moléculaire: 112.17 Numéro CE: 221-807-6

GRADE & PURITY ≥99%

Synonyms

2-Methyl-1-hexene-5-one | EN300-1229359 | NSC21640 | NSC-21640 | 5-methyl-hex-5-en-2-one | 5-Methylhex-5-en-2-one | 5-METHYL-5-HEXEN-2-ONE [FHFI] | 6OVV4Q22O6 | FEMA 3365 | 5-Hexen-2-one, 5-methyl- | FEMA No. 3365 | 5-oxo-2-methylhexene | NSC 21640 | 5-ME

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

2-Methyl-1-hexene-5-one | EN300-1229359 | NSC21640 | NSC-21640 | 5-methyl-hex-5-en-2-one | 5-Methylhex-5-en-2-one | 5-METHYL-5-HEXEN-2-ONE [FHFI] | 6OVV4Q22O6 | FEMA 3365 | 5-Hexen-2-one, 5-methyl- | FEMA No. 3365 | 5-oxo-2-methylhexene | NSC 21640 | 5-ME

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

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

Pureté

≥99%

Noms et identifiants

Sourires canoniques

CC(=C)CCC(=O)C

IUPAC Name

5-methylhex-5-en-2-one

InChIKey

VBCIOOKAKHGVMI-UHFFFAOYSA-N

INCHI

1S/C7H12O/c1-6(2)4-5-7(3)8/h1,4-5H2,2-3H3

Isomères SMILES

CC(=C)CCC(=O)C

Numéro ONU

1224

Poids moléculaire

112.17

Reaxy-Rn

1742085

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742085&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

• Indice de réfraction: n20/D 1.431 (lit.)
• Point d'éclair (°F): 107.6 °F - closed cup
• Point d'éclair (°C): 42 °C - closed cup
• Point d'ébullition (°C): 148-149℃ (lit.)
• Poids moléculaire: 112.170 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 112.089 Da
• Monoisotopic Mass: 112.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• 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