Octanal - ≥99% , CAS No.124-13-0

CAS: 124-13-0 Cat. No.: O106930 Formule: C₈H₁₆O Poids moléculaire: 128.21 Beilstein Registry Number: 1744086 Numéro CE: 204-683-8

GRADE & PURITY ≥99%

Synonyms

EC 204-683-8 | octan-8-one | J-660019 | OCTANAL [FCC] | 1-Caprylaldehyde | Octanaldehyde | Caprylic aldehyde | FT-0631629 | InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H | NSC8969 | n-Caprylaldehyde | Caprylaldehyd | Kaprylaldehyd | NCGC00247997-01 | Tox

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

Octanal is an aromatic aldehyde often found in citrus oils. It is used commercially as a component in perfumes and in flavor production for the food industry.

Specifications

Synonymes

EC 204-683-8 | octan-8-one | J-660019 | OCTANAL [FCC] | 1-Caprylaldehyde | Octanaldehyde | Caprylic aldehyde | FT-0631629 | InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H | NSC8969 | n-Caprylaldehyde | Caprylaldehyd | Kaprylaldehyd | NCGC00247997-01 | Tox

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

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

Type d'action

INHIBITOR

Pureté

≥99%

Noms et identifiants

• Pubchem Sid: 508807467
• Sourires canoniques: CCCCCCCC=O
• IUPAC Name: octanal
• InChIKey: NUJGJRNETVAIRJ-UHFFFAOYSA-N
• INCHI: 1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
• Isomères SMILES: CCCCCCCC=O
• WGK Allemagne: 2
• RTECS: RG7780000
• Numéro ONU: 1191
• Groupe d'emballage: III
• Poids moléculaire: 128.21
• Beilstein: 1744086
• Reaxy-Rn: 1744086
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744086&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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

Cibles associées (humaines)

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water.
• Sensibilité: Air sensitive.
• Indice de réfraction: 1.417-1.42
• Point d'éclair (°F): 125.6 °F
• Point d'éclair (°C): 51 °C
• Point d'ébullition (°C): 171°C
• Point de fusion (°C): 12-15°C
• Poids moléculaire: 128.210 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 128.12 Da
• Monoisotopic Mass: 128.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 59.600
• 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