Dihydrojasmone - 10mM in DMSO , CAS No.1128-08-1

CAS: 1128-08-1 Cat. No.: D420663 Formule: C₁₁H₁₈O Poids moléculaire: 166.26 Numéro CE: 214-434-5

GRADE & PURITY 10mM in DMSO

Synonyms

Dihydrojasmone (natural) | 2-CYCLOPENTEN-1-ONE, 3-METHYL-2-PENTYL- | EN300-20968 | JASMONE,DIHYDRO | 2-PENTYL-3-METHYL-2-CYCLOPENTENONE | 2-n-Pentyl-3-methyl-2-cyclopenten-1-one | CHEBI:143730 | EINECS 214-434-5 | Q1225162 | Dihydrojasmone;2-Pentyl-3-meth

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonymes

Dihydrojasmone (natural) | 2-CYCLOPENTEN-1-ONE, 3-METHYL-2-PENTYL- | EN300-20968 | JASMONE,DIHYDRO | 2-PENTYL-3-METHYL-2-CYCLOPENTENONE | 2-n-Pentyl-3-methyl-2-cyclopenten-1-one | CHEBI:143730 | EINECS 214-434-5 | Q1225162 | Dihydrojasmone;2-Pentyl-3-meth

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Noms et identifiants

• Sourires canoniques: CCCCCC1=C(CCC1=O)C
• IUPAC Name: 3-methyl-2-pentylcyclopent-2-en-1-one
• InChIKey: YCIXWYOBMVNGTB-UHFFFAOYSA-N
• INCHI: 1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3
• Isomères SMILES: CCCCCC1=C(CCC1=O)C
• RTECS: GY7302000
• Poids moléculaire: 166.26
• Reaxy-Rn: 1906471
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906471&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

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.48
• Point d'éclair (°F): 96°C
• Point d'éclair (°C): 96°C
• Point d'ébullition (°C): 84°C
• Poids moléculaire: 166.260 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 166.136 Da
• Monoisotopic Mass: 166.136 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 201.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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