(R)-(+)-3-Methylcyclohexanone - ≥98% , CAS No.13368-65-5

CAS: 13368-65-5 Cat. No.: R472235 Formule: CH₃C₆H₉(=O) Poids moléculaire: 112.17 Numéro CE: 236-438-6

GRADE & PURITY ≥98%

Synonyms

(+)-(3R)-3-Methylcyclohexanone | (3R)-3-Methylcyclohexanone | (R)-(+)-3-Methylcyclohexanone, 98% | Q27266029 | (R)-(+)-3-Methylcyclohexanone | (r)-3-methylcyclohexanone | (r)-3-methyl-cyclohexanone | UNII-72794G6S5C | Cyclohexanone, 3-methyl-, (R)- | SCHE

Storage

Protected from light,Room temperature

Shipped In

Normal

Vue d’ensemble

Description

(R)-(+)-3-Methylcyclohexanone may be used in the preparation of (R)-5-methyl-2-(1-methylethylidene-d6)-cyclohexanone [(R)-(+)-pulegone-d6].

Specifications

Synonymes

(+)-(3R)-3-Methylcyclohexanone | (3R)-3-Methylcyclohexanone | (R)-(+)-3-Methylcyclohexanone, 98% | Q27266029 | (R)-(+)-3-Methylcyclohexanone | (r)-3-methylcyclohexanone | (r)-3-methyl-cyclohexanone | UNII-72794G6S5C | Cyclohexanone, 3-methyl-, (R)- | SCHE

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504755670
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755670
• Sourires canoniques: CC1CCCC(=O)C1
• IUPAC Name: (3R)-3-methylcyclohexan-1-one
• InChIKey: UJBOOUHRTQVGRU-ZCFIWIBFSA-N
• INCHI: 1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3/t6-/m1/s1
• Isomères SMILES: C[C@@H]1CCCC(=O)C1
• WGK Allemagne: 1
• Poids moléculaire: 112.17
• Reaxy-Rn: 969804
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969804&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
• 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

• Sensibilité: Light sensitive
• Indice de réfraction: n20/D 1.446 (lit.)
• Rotation spécifique [α]: [α]24/D +13.5°, neat
• Point d'éclair (°F): 125.6 °F
• Point d'éclair (°C): 52 °C
• Point d'ébullition (°C): 168-169 °C (lit.)
• Poids moléculaire: 112.170 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• 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: 96.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Foire aux questions

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 room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13368-65-5, the molecular formula is CH3C6H9(=O), and the molecular weight is 112.17 g/mol. InChIKey UJBOOUHRTQVGRU-ZCFIWIBFSA-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.