Muscone - ≥97% , CAS No.541-91-3

CAS: 541-91-3 Cat. No.: M141496 Formule: C₁₆H₃₀O Poids moléculaire: 238.41 Numéro CE: 208-795-8

QUALITÉ & PURETÉ ≥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

A conserver entre 2 et 8°C

Shipped In

Glace humide

Vue d’ensemble

Cette substance est une substance de référence primaire dont la pureté absolue est attribuée (en tenant compte de la pureté chromatographique, de l'eau, des solvants résiduels et des impuretés inorganiques). La valeur exacte est indiquée sur le certificat. Produit par PhytoLab GmbH & Co. KG

Spécifications

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Type d'action

INHIBITOR

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504752034

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752034

Sourires canoniques

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

Isomères SMILES

CC1CCCCCCCCCCCCC(=O)C1

Poids moléculaire

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
• 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

• Solubilité: Solubility in water: Practically insoluble; Very soluble in Ethanol,Acetone,Ether
• Indice de réfraction: 1.4802
• Point d'éclair (°C): 145 °C
• Point d'ébullition (°C): 90°C
• Point de fusion (°C): -15°C(lit.)
• Poids moléculaire: 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

Foire aux questions

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.