Methyl jasmonate - ≥98% , CAS No.39924-52-2

CAS: 39924-52-2 Cat. No.: M111206 Fórmula: C₁₃H₂₀O₃ Peso molecular: 224.3 Número EC: 254-705-5

GRADE & PURITY ≥98%

Synonyms

FEMA No. 3410 | Methyl jasmonate synthetic a-tocopherol as stabilizer | Methyl2-(3-oxo-2-(pent-2-en-1-yl)cyclopentyl)acetate | SCHEMBL2496795 | Jasmonic acid methyl ester | Cyclopentaneacetic acid, 3-oxo-2-(2-penten-1-yl)-, methyl ester | HY-W013507 | Met

Storage

Room temperature

Shipped In

Normal

Descripción general

Methyl jasmonate (MJ, MeJA), a methyl ester of JA, is a plant growth regulator. It is an aromatic volatile compound isolated from balloon flower. It has been reported that it plays an important role in plant response to pathogens and trauma.

Specifications

Sinónimos

FEMA No. 3410 | Methyl jasmonate synthetic a-tocopherol as stabilizer | Methyl2-(3-oxo-2-(pent-2-en-1-yl)cyclopentyl)acetate | SCHEMBL2496795 | Jasmonic acid methyl ester | Cyclopentaneacetic acid, 3-oxo-2-(2-penten-1-yl)-, methyl ester | HY-W013507 | Met

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488195473
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195473
• Sonrisas canónicas: CCC=CCC1C(CCC1=O)CC(=O)OC
• IUPAC Name: methyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
• InChIKey: GEWDNTWNSAZUDX-SNAWJCMRSA-N
• INCHI: 1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4+
• Isómeros SMILES: CC/C=C/CC1C(CCC1=O)CC(=O)OC
• WGK Alemania: 3
• CAS alternativo: 1101843-02-0；1211-29-6
• Peso molecular: 224.3
• Reaxy-Rn: 2939212
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2939212&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Lineolic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Lineolic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Jasmonic acids
• Alternative Parents: Methyl esters Cyclic ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Jasmonic acid - Methyl ester - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as jasmonic acids. These are lipids containing or derived from a jasmonic acid, with a structure characterized by the presence of an alkene chain linked to a 2-(3-oxocyclopentyl)acetic acid moiety.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol (~30 mg/ml), DMSO (~15 mg/ml), DMF (~25 mg/ml), and PBS pH 7.2 (~3 mg/ml).
• Índice de refracción: 1.474
• Punto de inflamación (°F): >235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 110°C
• Peso molecular: 224.300 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 224.141 Da
• Monoisotopic Mass: 224.141 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 281.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1