Heptaldehyde - ≥97% , CAS No.111-71-7

CAS: 111-71-7 Cat. No.: H105934 Summenformel: C₇H₁₄O Molekulargewicht: 114.19 Beilstein Registry Number: 1560236 EG-Nummer: 203-898-4

QUALITÄT & REINHEIT ≥97%

Synonyms

N-HEPTANAL|Oenanthol|1-Heptaldehyde|Heptanal|HEPTANAL [MI]|n-Heptylaldehyde|Enanthal|Enanthole|Heptanal (natural)|n-Heptaldehyde [UN3056] [Flammable liquid]|Heptylaldehyde|Heptanal-d14|Oenanthal|Heptanaldehyde|Oenanthic aldehyde|N-HEPTANAL [HSDB]|n-Heptaldehyde|Oenanthole|Enanthic aldehyde|HEPTANAL [FCC]|HEPTANAL [FHFI]|heptan-1-al|Aldehyde C-7|Enanthaldehyde|n-Heptaldehyde [UN3056] [Flammable liquid]|FEMA NUMBER 2540|Oenanthaldehyde|1-Heptanal|Heptaldehyde|HEPTANAL (ALDEHYDE C-7)

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Spezifikationen

Synonyme

N-HEPTANAL | Oenanthol | 1-Heptaldehyde | Heptanal | HEPTANAL [MI] | n-Heptylaldehyde | Enanthal | Enanthole | Heptanal (natural) | n-Heptaldehyde [UN3056] [Flammable liquid] | Heptylaldehyde | Heptanal-d14 | Oenanthal | Heptanaldehyde | Oenanthic aldehyde | N-HEPTANAL [HSDB] | n-Heptaldehyde | Oenanthole | Enanthic aldehyde | HEPTANAL [F Show more

Spezifikationen & Reinheit

≥97%

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

FedEx DG Service

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504751595

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751595

Kanonisches Lächeln

CCCCCCC=O

IUPAC Name

heptanal

InChIKey

FXHGMKSSBGDXIY-UHFFFAOYSA-N

INCHI

1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3

Isomere SMILES

CCCCCCC=O

WGK Deutschland

3

RTECS

MI6900000

UN-Nummer

3056

Verpackungsgruppe

III

Molekulargewicht

114.19

Beilstein

1560236

Reaxy-Rn

1560236

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1560236&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

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Discover Target: PNMT

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Lymphoblastoid cell (5959 Activities)

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Zugehörige Ziele (nicht menschlich)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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Myzus persicae (1112 Activities)

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Bursaphelenchus xylophilus (372 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water 1.3 g/L
• Empfindlichkeit: Light sensitive，Air sensitive,Heat sensitive
• Brechungsindex: 1.4151
• Flammpunkt (°C): 35℃
• Siedepunkt (°C): 153°C
• Schmelzpunkt (°C): -42°C
• Molekulargewicht: 114.190 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 114.104 Da
• Monoisotopic Mass: 114.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 50.300
• 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