3-Methyl-2-cyclohexenone - ≥98% , CAS No.1193-18-6

CAS: 1193-18-6 Cat. No.: M104499 Summenformel: C₇H₁₀O Molekulargewicht: 110.15 Beilstein Registry Number: 1560601 EG-Nummer: 214-769-7

GRADE & PURITY ≥98%

Synonyms

3-Methylcyclohexenone | 3-methyl-cyclohexenone | Methylcyclohexenone | DTXSID8035186 | MFCD00001581 | 3-Methyl-2-cyclohexenone, 98% | NSC43632 | NSC-43632 | NSC 43632 | 3-Methyl-2-cyclohexenone-1 | 3-Methyl-2-cyclohexene-1-one | 3-Methyl-2-cyclohexenone |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

3-Methylcyclohexenone | 3-methyl-cyclohexenone | Methylcyclohexenone | DTXSID8035186 | MFCD00001581 | 3-Methyl-2-cyclohexenone, 98% | NSC43632 | NSC-43632 | NSC 43632 | 3-Methyl-2-cyclohexenone-1 | 3-Methyl-2-cyclohexene-1-one | 3-Methyl-2-cyclohexenone |

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504752564
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752564
• Kanonisches Lächeln: CC1=CC(=O)CCC1
• IUPAC Name: 3-methylcyclohex-2-en-1-one
• InChIKey: IITQJMYAYSNIMI-UHFFFAOYSA-N
• INCHI: 1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3
• Isomere SMILES: CC1=CC(=O)CCC1
• WGK Deutschland: 3
• RTECS: GW7340000
• Molekulargewicht: 110.15
• Beilstein: 1560601
• Reaxy-Rn: 1560601
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1560601&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Cyclic ketones
            • Ebene7 Cyclohexenones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Cyclic ketones
• Direct Parent: Cyclohexenones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexenone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in alcohol. Insoluble in water
• Empfindlichkeit: air sensitive
• Brechungsindex: 1.494
• Flammpunkt (°F): 154.4 °F
• Flammpunkt (°C): 68 °C
• Siedepunkt (°C): 199-200°C
• Molekulargewicht: 110.150 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 110.073 Da
• Monoisotopic Mass: 110.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 133.000
• 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

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 1193-18-6, the molecular formula is C7H10O, and the molecular weight is 110.15 g/mol. InChIKey IITQJMYAYSNIMI-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.