Muscone - ≥97% , CAS No.541-91-3

CAS: 541-91-3 Cat. No.: M141496 Formula: C₁₆H₃₀O Peso molecolare: 238.41 Numero EC: 208-795-8

GRADE & PURITY ≥97%

Synonyms

AS-15908 | Q-100613 | 5JO79R7S9R | MUSCONE, (+/-)- | FT-0603462 | Muscone | AI3-38746 | DL-3-methylcyclopentadecanone | MUSCONE (+/-)-FORM [MI] | 3-Methylcyclopentadecanone, dl- | Muscone ,(S) | 3-methyl-cyclopentadecan-1-one | 3-Methylcyclopentadecan-1-o

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

Specifications

Sinonimi

AS-15908 | Q-100613 | 5JO79R7S9R | MUSCONE, (+/-)- | FT-0603462 | Muscone | AI3-38746 | DL-3-methylcyclopentadecanone | MUSCONE (+/-)-FORM [MI] | 3-Methylcyclopentadecanone, dl- | Muscone ,(S) | 3-methyl-cyclopentadecan-1-one | 3-Methylcyclopentadecan-1-o

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504752034
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752034
• Sorrisi canonici: 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
• Isomeri SMILES: CC1CCCCCCCCCCCCC(=O)C1
• Peso molecolare: 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
    • 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Solubility in water: Practically insoluble; Very soluble in Ethanol,Acetone,Ether
• Indice di rifrazione: 1.4802
• Punto di infiammabilità (°C): 145 °C
• Punto di ebollizione (°C): 90°C
• Punto di fusione (°C): -15°C(lit.)
• Peso molecolare: 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

Riferimenti

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]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 541-91-3, the molecular formula is C16H30O, and the molecular weight is 238.41 g/mol. InChIKey ALHUZKCOMYUFRB-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.