2-metil-2-pentenale - ≥97% , CAS No.623-36-9

CAS: 623-36-9 Cat. No.: M102187 Formula: C₆H₁₀O Peso molecolare: 98.14 Numero EC: 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

Normale

Panoramica

il 2-metil-2-pentenale è stato identificato come uno dei principali composti volatili dell'aroma di erba cipollina, caucas, cipolla e porro.

Specifications

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504763590
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763590
• Sorrisi canonici: 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+
• Isomeri SMILES: CC/C=C(\C)/C=O
• WGK Germania: 1
• RTECS: SB2100000
• CAS alternativo: 14250-96-5
• Numero UN: 1989
• Peso molecolare: 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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Alpha,beta-unsaturated carbonyl compounds
          • Level6 Alpha,beta-unsaturated aldehydes
            • Level7 Enals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Obiettivi associati (non umani)

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Brevicoryne brassicae (33 Activities)

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Frankliniella occidentalis (90 Activities)

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Pseudococcus affinis (11 Activities)

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Pseudococcus viburni (11 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive.
• Indice di rifrazione: 1.45
• Punto di infiammabilità (°F): 89.6 °F
• Punto di infiammabilità (°C): 32 °C
• Punto di ebollizione (°C): 137-138°C
• Punto di fusione (°C): -90°C
• Peso molecolare: 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

Riferimenti

1. Shan-Shan Zhang, Sen Guo, Zhao-Jing Zheng, Shao-Jing Liu, Yu-Fei Hou, Chi-Tang Ho, Nai-Sheng Bai.  (2021)  Characterization of volatiles in Allium tenuissimum L. flower by headspace-gas chromatography-olfactometry-mass spectrometry, odor activity values, and the omission and recombination experiments.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2021.112144]

2. Yiwen Cao, Shenjie Zhu, Lin Zhang, Qun Cui, Haiyan Wang.  (2021)  Qualitative and quantitative determination of trace aldehydes and ketones in food preservative propionic acid for quality improvement.  Analytical Methods,  13  (26): (2989-2996).  [PMID:34124731] [10.1039/D1AY00742D]

Domande frequenti

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.