(-)-Citronellal - 10mM in DMSO , CAS No.5949-05-3

CAS: 5949-05-3 Cat. No.: C424959 Fórmula: C₁₀H₁₈O Peso molecular: 154.25 Beilstein Registry Number: 1(4)3515 Número CE: 227-707-9

GRADE & PURITY 10mM in DMSO

Synonyms

(S)-3,7-Dimethyloct-6-enal | 6-Octenal, 3,7-dimethyl-, (S)- | (S)-3,7-Dimethyl-6-octenal | (S)-(-)-Citronellal, 96% | (-) citronellal | (3S)-3,7-dimethyloct-6-enal | HY-111664A | NCGC00357204-01 | SR-01000597418-1 | (S)-(-)-itronellal | (3S)-3,7-dimethyl-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

(S)-3,7-Dimethyloct-6-enal | 6-Octenal, 3,7-dimethyl-, (S)- | (S)-3,7-Dimethyl-6-octenal | (S)-(-)-Citronellal, 96% | (-) citronellal | (3S)-3,7-dimethyloct-6-enal | HY-111664A | NCGC00357204-01 | SR-01000597418-1 | (S)-(-)-itronellal | (3S)-3,7-dimethyl-

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

• Pubchem Sid: 528752740
• Sorrisos canónicos: CC(CCC=C(C)C)CC=O
• IUPAC Name: (3S)-3,7-dimethyloct-6-enal
• InChIKey: NEHNMFOYXAPHSD-JTQLQIEISA-N
• INCHI: 1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1
• SMILES isoméricas: C[C@@H](CCC=C(C)C)CC=O
• Peso molecular: 154.25
• Beilstein: 1(4)3515
• Reaxy-Rn: 1720789
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720789&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyclic monoterpenoids
• Alternative Parents: Medium-chain aldehydes Alpha-hydrogen aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic monoterpenoid - Medium-chain aldehyde - Alpha-hydrogen aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
• External Descriptors: Acyclic monoterpenoids

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

Alvos associados (não humanos)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive
• Índice de refração: 1.45
• Rotação específica [α]: -15.5° (neat)
• Ponto de inflamação (°F): 167.0 °F
• Ponto de inflamação (°C): 75°C(lit.)
• Peso molecular: 154.250 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 154.136 Da
• Monoisotopic Mass: 154.136 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 132.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Referências

1. Wu S. J., Chen F., Ma X. J., Sun S. Y., Yan H. D., Li T. T., Qiu L. Q..  (2025)  Asymmetric Reduction of (E/Z)-citral to (R)-Citronellal by a Cyanobacterial-Derived Old Yellow Enzyme, CtOYE.  APPLIED BIOCHEMISTRY AND MICROBIOLOGY,      [PMID:] [10.1134/S0003683823602597]