Octanal - ≥97% , CAS No.124-13-0

CAS: 124-13-0 Cat. No.: O106931 Summenformel: C₈H₁₆O Molekulargewicht: 128.21 Beilstein Registry Number: 1744086 EG-Nummer: 204-683-8

QUALITÄT & REINHEIT ≥97%

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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

508807466

Kanonisches Lächeln

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

Isomere SMILES

CCCCCCCC=O

WGK Deutschland

2

RTECS

RG7780000

UN-Nummer

1191

Verpackungsgruppe

III

Molekulargewicht

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
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Aldehydes
          • Ebene6 Medium-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Brechungsindex: 1.417-1.42
• Flammpunkt (°F): 125.6 °F
• Flammpunkt (°C): 51 °C
• Siedepunkt (°C): 171°C
• Schmelzpunkt (°C): 12-15°C
• Molekulargewicht: 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