3,5-Dimethyl-2-cyclohexen-1-one - ≥98% , CAS No.1123-09-7

CAS: 1123-09-7 Cat. No.: D338929 Formula: (CH₃)₂C₆H₆(=O) Peso molecolare: 124.18 Numero EC: 214-369-2

QUALITÀ & PUREZZA ≥98%

Synonyms

2-Cyclohexen-1-one, 3,5-dimethyl- | EINECS 214-369-2 | NSC10113 | NSC-10113 | AI3-21772 | EN300-98240 | AKOS015917649 | A802550 | E78362 | DTXSID20870848 | FT-0658302 | 3,5-Dimethyl-2-cyclohexen-1-one, 98% | 3,5-dimethylcyclohexenone | MFCD00001583 | SCHE

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifiche

Sinonimi

2-Cyclohexen-1-one, 3,5-dimethyl- | EINECS 214-369-2 | NSC10113 | NSC-10113 | AI3-21772 | EN300-98240 | AKOS015917649 | A802550 | E78362 | DTXSID20870848 | FT-0658302 | 3,5-Dimethyl-2-cyclohexen-1-one, 98% | 3,5-dimethylcyclohexenone | MFCD00001583 | SCHE

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488181966

Sorrisi canonici

CC1CC(=CC(=O)C1)C

IUPAC Name

3,5-dimethylcyclohex-2-en-1-one

InChIKey

NOQKKFBBAODEHN-UHFFFAOYSA-N

INCHI

1S/C8H12O/c1-6-3-7(2)5-8(9)4-6/h4,7H,3,5H2,1-2H3

Isomeri SMILES

CC1CC(=CC(=O)C1)C

WGK Germania

3

Peso molecolare

124.18

Reaxy-Rn

1280739

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1280739&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones
            • Level7 Cyclohexenones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: n20D1.483 (lit.)
• Punto di infiammabilità (°F): 174.2 °F
• Punto di infiammabilità (°C): 79 °C
• Punto di ebollizione (°C): 211-212° C
• Punto di fusione (°C): 211-212° C (lit.)
• Peso molecolare: 124.180 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 124.089 Da
• Monoisotopic Mass: 124.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 156.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 1123-09-7, the molecular formula is (CH3)2C6H6(=O), and the molecular weight is 124.18 g/mol. InChIKey NOQKKFBBAODEHN-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.