2-Methyl-2-pentenal - ≥97% , CAS No.623-36-9

CAS: 623-36-9 Cat. No.: M102187 Summenformel: C₆H₁₀O Molekulargewicht: 98.14 EG-Nummer: 210-789-5

GRADE & PURITY ≥97%

Synonyms

DTXSID8021646 | trans-2-Methyl-2-pentenal | (2E)-2-Methyl-2-pentenal | 2-METHYL-2-PENTENAL | EN300-381207 | A833721 | UNII-98QAG1U530 | (2E)-2-methylpent-2-enal | 2-Pentenal, 2-methyl-, (2E)- | 2-Methyl-2-pentene-1-al | Hydroxyl, ion | DTXSID3052301 | WLN

Storage

Room temperature

Shipped In

Normal

Übersicht

2-Methyl-2-pentenal has been identified as one of the major volatile flavor compounds in chive, caucas, onion and leek.

Specifications

Synonyme

DTXSID8021646 | trans-2-Methyl-2-pentenal | (2E)-2-Methyl-2-pentenal | 2-METHYL-2-PENTENAL | EN300-381207 | A833721 | UNII-98QAG1U530 | (2E)-2-methylpent-2-enal | 2-Pentenal, 2-methyl-, (2E)- | 2-Methyl-2-pentene-1-al | Hydroxyl, ion | DTXSID3052301 | WLN

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504763590
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763590
• Kanonisches Lächeln: CCC=C(C)C=O
• IUPAC Name: (E)-2-methylpent-2-enal
• InChIKey: IDEYZABHVQLHAF-GQCTYLIASA-N
• INCHI: 1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4+
• Isomere SMILES: CC/C=C(\C)/C=O
• WGK Deutschland: 1
• RTECS: SB2100000
• Alternative CAS-Nummer: 14250-96-5
• UN-Nummer: 1989
• Molekulargewicht: 98.14
• Reaxy-Rn: 1738018
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738018&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Alpha,beta-unsaturated carbonyl compounds
          • Ebene6 Alpha,beta-unsaturated aldehydes
            • Ebene7 Enals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated aldehydes
• Direct Parent: Enals
• Alternative Parents: Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enal - Organic oxide - Hydrocarbon derivative - Aldehyde - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as enals. These are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position.
• External Descriptors: Not available

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

Zugehörige Ziele (nicht menschlich)

Myzus persicae (1112 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Tetranychus urticae (2600 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lactuca sativa (1092 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Brevicoryne brassicae (33 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Frankliniella occidentalis (90 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Pseudococcus affinis (11 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Pseudococcus viburni (11 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive.
• Brechungsindex: 1.45
• Flammpunkt (°F): 89.6 °F
• Flammpunkt (°C): 32 °C
• Siedepunkt (°C): 137-138°C
• Schmelzpunkt (°C): -90°C
• Molekulargewicht: 98.140 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 98.0732 Da
• Monoisotopic Mass: 98.0732 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 82.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 623-36-9, the molecular formula is C6H10O, and the molecular weight is 98.14 g/mol. InChIKey IDEYZABHVQLHAF-GQCTYLIASA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.