Undecanal - ≥97% , CAS No.112-44-7

CAS: 112-44-7 Cat. No.: U105593 Peso molecular: 170.29 Beilstein Registry Number: 1753213 Número EC: 203-972-6 PubChem CID: 8186

GRADE & PURITY ≥97%

Synonyms

DTXCID901688 | 100 | Hendecanaldehyde | NCGC00248685-01 | U0009 | UNDECANAL [FHFI] | Undecanal, 97% | UNDECANAL (ALDEHYDE C-11 UNDECYLIC) | BRN 1753213 | Undecanaldehyde | B6P0A9PSHN | EN300-1721289 | DB04093 | FEMA No. 3092 | Aldehyde C-11 | Undecylic al

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXCID901688 | 100 | Hendecanaldehyde | NCGC00248685-01 | U0009 | UNDECANAL [FHFI] | Undecanal, 97% | UNDECANAL (ALDEHYDE C-11 UNDECYLIC) | BRN 1753213 | Undecanaldehyde | B6P0A9PSHN | EN300-1721289 | DB04093 | FEMA No. 3092 | Aldehyde C-11 | Undecylic al

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488180723
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180723
• Sonrisas canónicas: CCCCCCCCCCC=O
• IUPAC Name: undecanal
• InChIKey: KMPQYAYAQWNLME-UHFFFAOYSA-N
• INCHI: 1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
• Isómeros SMILES: CCCCCCCCCCC=O
• WGK Alemania: 3
• RTECS: YQ1500000
• PubChem CID: 8186
• Número ONU: 1988
• Peso molecular: 170.29
• Beilstein: 1753213
• Reaxy-Rn: 1753213

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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: Fatty aldehydes

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in dipropylene glycol, fixed oils, propylene glycol and water (14.27 mg/L at 25°C)
• Sensibilidad: Air Sensitive
• Índice de refracción: 1.4322
• Punto de inflamación (°F): 203°F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 116-117°C
• Punto de fusión (°C): -4°C
• Peso molecular: 170.290 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 170.167 Da
• Monoisotopic Mass: 170.167 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 89.000
• 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

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