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

CAS: 541-91-3 Cat. No.: M110089 Formule: C₁₆H₃₀O Poids moléculaire: 238.41 Numéro CE: 208-795-8

GRADE & PURITY Analytical standard

Synonyms

3-Methylcyclopentadecanone

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

3-Methylcyclopentadecanone

Spécifications et pureté

analytical standard

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Étalon d'analyse

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.

Noms et identifiants

Pubchem Sid

528776664

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

• 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