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

CAS: 3240-09-3 Cat. No.: M474293 Formula: H₂C=C(CH₃)CH₂CH₂COCH₃ Peso molecolare: 112.17 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: CC(=C)CCC(=O)C
• Numero UN: 1224
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: n20/D 1.431 (lit.)
• Punto di infiammabilità (°F): 107.6 °F - closed cup
• Punto di infiammabilità (°C): 42 °C - closed cup
• Punto di ebollizione (°C): 148-149℃ (lit.)
• Peso molecolare: 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