Octanal - ≥99% , CAS No.124-13-0

CAS: 124-13-0 Cat. No.: O106930 Formula: C₈H₁₆O Peso molecolare: 128.21 Beilstein Registry Number: 1744086 Numero EC: 204-683-8

QUALITÀ & PUREZZA ≥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

Panoramica

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.

Specifiche

Sinonimi

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

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Tipo di azione

INHIBITOR

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

508807467

Sorrisi canonici

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

Isomeri SMILES

CCCCCCCC=O

WGK Germania

2

RTECS

RG7780000

Numero UN

1191

Gruppo di imballaggio

III

Peso molecolare

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
• Descrizione: 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

Obiettivi associati (umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water.
• Sensibilità: Air sensitive.
• Indice di rifrazione: 1.417-1.42
• Punto di infiammabilità (°F): 125.6 °F
• Punto di infiammabilità (°C): 51 °C
• Punto di ebollizione (°C): 171°C
• Punto di fusione (°C): 12-15°C
• Peso molecolare: 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