Muscone - analytical standard , CAS No.541-91-3

CAS: 541-91-3 Cat. No.: M110089 Molecular Weight: 238.41 EC Number: 208-795-8

GRADE & PURITY Analytical standard

Synonyms

3-Methylcyclopentadecanone

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

3-Methylcyclopentadecanone

Specifications & Purity

analytical standard

Biochemical and Physiological Mechanisms

Active ketone of musk. Inhibits cellular oxidative stress and apoptosis. Shows protective effect in ischemia-reperfusion injury to myocytes in vitro. Neuroprotective in vivo. Crosses the blood-brain barrier.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Names and Identifiers

• Canonical Smiles: CC1CCCCCCCCCCCCC(=O)C1
• IUPAC Name: 3-methylcyclopentadecan-1-one
• InChIKey: ALHUZKCOMYUFRB-UHFFFAOYSA-N
• INCHI: 1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3
• Isomeric SMILES: CC1CCCCCCCCCCCCC(=O)C1
• Molecular Weight: 238.41
• Reaxy-Rn: 2047145
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047145&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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

Chemical and Physical Properties

• Refractive Index: 1.4802
• Flash Point(°C): 145 °C
• Boil Point(°C): 90°C
• Melt Point(°C): -15°C(lit.)
• Molecular Weight: 238.410 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 238.23 Da
• Monoisotopic Mass: 238.23 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 198.000
• 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

References

1. Chang-Seob Seo, Hyeun-Kyoo Shin.  (2023)  Quantitative Analysis of Eight Compounds in Traditional Korean Medicine, Gongjindan Using HPLC, UPLC–MS/MS, and GC–MS/MS Systems.  Separations,  10  (4): (231).  [PMID:] [10.3390/separations10040231]

2. Zifan Qiao, Lihua Chen, Mubarak G. Bello, Shiyu Huang.  (2025)  Preparation and Characterization of Muscone Oil-Based Cyclodextrin Metal–Organic Frameworks: Molecular Dynamics Simulations and Stability Evaluation.  Pharmaceutics,  17  (4): (497).  [PMID:40284492] [10.3390/pharmaceutics17040497]