4-Methylvaleraldehyde - ≥98% , CAS No.1119-16-0

CAS: 1119-16-0 Cat. No.: M586390 Summenformel: C₆H₁₂O Molekulargewicht: 100.16 EG-Nummer: 214-273-0

GRADE & PURITY ≥98%

Synonyms

4-Methyl-1-pentanal | isohexana | 4-Methyl valeraldehyde | BRN 0506059 | EN300-105963 | isocaproaldehyde | Q17517938 | AI3-30050 | isocaproaldehyde: 4-methyl-Pentanal | .GAMMA.-METHYLVALERALDEHYDE | 4-METHYLPENTALDEHYDE | 3-01-00-02836 (Beilstein Handbook

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

4-Methyl-1-pentanal | isohexana | 4-Methyl valeraldehyde | BRN 0506059 | EN300-105963 | isocaproaldehyde | Q17517938 | AI3-30050 | isocaproaldehyde: 4-methyl-Pentanal | .GAMMA.-METHYLVALERALDEHYDE | 4-METHYLPENTALDEHYDE | 3-01-00-02836 (Beilstein Handbook

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Isocaproaldehyde is a product of side-chain cleavage of cholesterol. Isocaproaldehyde is an endogenous specific substrate of mouse vas deferens protein (MVDP)

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504750355

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750355

Kanonisches Lächeln

CC(C)CCC=O

IUPAC Name

4-methylpentanal

InChIKey

JGEGJYXHCFUMJF-UHFFFAOYSA-N

INCHI

1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3

Isomere SMILES

CC(C)CCC=O

Molekulargewicht

100.16

Reaxy-Rn

506059

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506059&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Aldehydes
          • Ebene6 Alpha-hydrogen aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Alpha-hydrogen aldehydes
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group.
• External Descriptors: a small molecule

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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Molekulargewicht: 100.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 100.089 Da
• Monoisotopic Mass: 100.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 48.100
• 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