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

CAS: 5949-05-3 Cat. No.: C424959 Formula: C₁₀H₁₈O Peso molecolare: 154.25 Beilstein Registry Number: 1(4)3515 Numero EC: 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

Sinonimi

(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-

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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

Nomi e identificatori

• Pubchem Sid: 528752740
• Sorrisi canonici: 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
• Isomeri SMILES: C[C@@H](CCC=C(C)C)CC=O
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (non umani)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.45
• Rotazione specifica [α]: -15.5° (neat)
• Punto di infiammabilità (°F): 167.0 °F
• Punto di infiammabilità (°C): 75°C(lit.)
• Peso molecolare: 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

Riferimenti

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]