4-Methyl-4-pentenoic acid - ≥97% , CAS No.1001-75-8

CAS: 1001-75-8 Cat. No.: P302022 Summenformel: C₆H₁₀O₂ Molekulargewicht: 114.14 EG-Nummer: 856-097-2

GRADE & PURITY ≥97%

Synonyms

MFCD06208588 | AS-41332 | EN300-108546 | SCHEMBL75667 | 4-Methylpent-4-enoic acid, 97% | 4-methylpent-4-enoicacid | DTXSID00415231 | 4-Pentenoic acid, 4-methyl- | A850348 | 4-Methylpent-4-enoic acid | AKOS006291975 | CHEBI:180384 | LMFA01020098 | 4-methyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

MFCD06208588 | AS-41332 | EN300-108546 | SCHEMBL75667 | 4-Methylpent-4-enoic acid, 97% | 4-methylpent-4-enoicacid | DTXSID00415231 | 4-Pentenoic acid, 4-methyl- | A850348 | 4-Methylpent-4-enoic acid | AKOS006291975 | CHEBI:180384 | LMFA01020098 | 4-methyl

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

Kanonisches Lächeln

CC(=C)CCC(=O)O

IUPAC Name

4-methylpent-4-enoic acid

InChIKey

HVHBTFZQLHOFHA-UHFFFAOYSA-N

INCHI

1S/C6H10O2/c1-5(2)3-4-6(7)8/h1,3-4H2,2H3,(H,7,8)

Isomere SMILES

CC(=C)CCC(=O)O

Molekulargewicht

114.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty acids and conjugates
        • Ebene5 Branched fatty acids
          • Ebene6 Methyl-branched fatty acids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Branched fatty acids
• Direct Parent: Methyl-branched fatty acids
• Alternative Parents: Unsaturated fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl-branched fatty acid - Unsaturated fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.
• External Descriptors: Branched fatty acids

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

• Flammpunkt (°C): 96°C
• Siedepunkt (°C): 199 °C at 760 mmHg
• Molekulargewicht: 114.140 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 105.000
• 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