Methyl jasmonate - 10mM in DMSO , CAS No.39924-52-2

CAS: 39924-52-2 Cat. No.: M423831 Formula: C₁₃H₂₀O₃ Molecular Weight: 224.3 EC Number: 254-705-5

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

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

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

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Pubchem Sid

528775401

Canonical Smiles

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+

Isomeric SMILES

CC/C=C/CC1C(CCC1=O)CC(=O)OC

WGK Germany

3

Alternate CAS

1101843-02-0；1211-29-6

Molecular Weight

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
    • Class Fatty Acyls
      • Subclass Lineolic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• x_refractive_index: 1.474
• x_flash_point_drop_fahrenheit: >235.4 °F
• x_flash_point_drop_centigrade: 113 °C
• x_boil_point_char: 110°C
• Molecular Weight: 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