Heptaldehyde - ≥97% , CAS No.111-71-7

CAS: 111-71-7 Cat. No.: H105934 分子式: C₇H₁₄O 分子量: 114.19 Beilstein Registry Number: 1560236 EC番号: 203-898-4

グレード＆純度 ≥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

仕様

同義語

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 もっと見る

仕様と純度

≥97%

保管条件

Protected from light,Room temperature,Argon charged

入荷

FedEx DG Service

純度

≥97%

名前と識別子

パブケム・シド

504751595

パブケム・シド・ウル

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

カノニカル・スマイル

CCCCCCC=O

IUPAC Name

heptanal

InChIKey

FXHGMKSSBGDXIY-UHFFFAOYSA-N

INCHI

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

異性体SMILES

CCCCCCC=O

WGKドイツ

3

RTECS

MI6900000

UN番号

3056

包装グループ

III

分子量

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
    • 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water 1.3 g/L
• 感度: Light sensitive，Air sensitive,Heat sensitive
• 屈折率: 1.4151
• 引火点（°C）: 35℃
• 沸点（°C）: 153°C
• 融点（°C）: -42°C
• 分子量: 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