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

CAS: 5949-05-3 Cat. No.: C424959 分子式: C₁₀H₁₈O 分子量: 154.25 Beilstein Registry Number: 1(4)3515 EC番号: 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

同義語

(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-

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

• パブケム・シド: 528752740
• カノニカル・スマイル: 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
• 異性体SMILES: C[C@@H](CCC=C(C)C)CC=O
• 分子量: 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
    • 分類 Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

Mycobacterium tuberculosis (203094 Activities)

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

作用メカニズム

化学的性質と物理的性質

• 感度: Air Sensitive
• 屈折率: 1.45
• 比旋光度［α］: -15.5° (neat)
• 引火点（°F）: 167.0 °F
• 引火点（°C）: 75°C(lit.)
• 分子量: 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

参考文献

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]