Nonanal - ≥96% , CAS No.124-19-6

CAS: 124-19-6 Cat. No.: N111142 分子式: C₉H₁₈O 分子量: 142.24 Beilstein Registry Number: 1236701 EC番号: 204-688-5

GRADE & PURITY ≥96%

Synonyms

C9-11 Aldehydes | J-005053 | Aldehyde C9, Nonyl aldehyde, Pelargonaldehyde | NONYL ALDEHYDE,N- | EINECS 204-688-5 | SCHEMBL8876408 | N0296 | AMY15728 | BP-31179 | AI3-04859 | DTXCID801639 | NCGC00257442-01 | n-Nonanal | NONANAL | Aldehyde C-9 | EINECS 278

Storage

Room temperature,Argon charged

Shipped In

Normal

概要

Nonanal is used for fragranced end-products.

Specifications

同義語

C9-11 Aldehydes | J-005053 | Aldehyde C9, Nonyl aldehyde, Pelargonaldehyde | NONYL ALDEHYDE,N- | EINECS 204-688-5 | SCHEMBL8876408 | N0296 | AMY15728 | BP-31179 | AI3-04859 | DTXCID801639 | NCGC00257442-01 | n-Nonanal | NONANAL | Aldehyde C-9 | EINECS 278

仕様と純度

≥96%

生化学的・生理学的メカニズム

Alkyl aldehyde component of essential oils with a strong fruity odor used in perfumery.

保管条件

Room temperature,Argon charged

入荷

Normal

注

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.

純度

≥96%

名前と識別子

パブケム・シド

508813803

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508813803

カノニカル・スマイル

CCCCCCCCC=O

IUPAC Name

nonanal

InChIKey

GYHFUZHODSMOHU-UHFFFAOYSA-N

INCHI

1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3

異性体SMILES

CCCCCCCCC=O

WGKドイツ

3

RTECS

RA5700000

分子量

142.24

Beilstein

1236701

Reaxy-Rn

1236701

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1236701&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Medium-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Medium-chain aldehydes
• Alternative Parents: Alpha-hydrogen aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain aldehyde - Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
• External Descriptors: an n-alkanal

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）

Bursaphelenchus xylophilus (372 Activities)

Explore this target

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

• 溶解度: Soluble in alcohol and insoluble in water
• 感度: Air sensitive
• 屈折率: 1.4276
• 引火点（°F）: 145°F
• 引火点（°C）: 63℃
• 沸点（°C）: 190-192°C
• 分子量: 142.240 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 142.136 Da
• Monoisotopic Mass: 142.136 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 69.100
• 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