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

CAS: 1193-18-6 Cat. No.: M104499 分子式: C₇H₁₀O 分子量: 110.15 Beilstein Registry Number: 1560601 EC番号: 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

同義語

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 |

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

504752564

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504752564

カノニカル・スマイル

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

異性体SMILES

CC1=CC(=O)CCC1

WGKドイツ

3

RTECS

GW7340000

分子量

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
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones
            • Level7 Cyclohexenones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in alcohol. Insoluble in water
• 感度: air sensitive
• 屈折率: 1.494
• 引火点（°F）: 154.4 °F
• 引火点（°C）: 68 °C
• 沸点（°C）: 199-200°C
• 分子量: 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

よくある質問

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.