Methyl jasmonate

• CAS: 39924-52-2
• Catalog Number: ACM39924522
• Category: Main Products
• Molecular Weight: 224.30
• Molecular Formula: C₁₃H₂₀O₃
• Description: (-)-methyl jasmonate is a jasmonate ester that is the methyl ester of jasmonic acid. It has a role as a member of jasmonates, a plant metabolite and a plant hormone. It is a jasmonate ester, a methyl ester and a member of Jasmonate derivatives. Methyl jasmonate is a natural product found in Ficus superba, Lonicera japonica, and other organisms with data available.
• Synonyms: Methyl jasmonate; 1211-29-6; (-)-Methyl jasmonate; Methyl cis-jasmonate; Methyl 2-((1R,2R)-3-oxo-2-((Z)-pent-2-en-1-yl)cyclopentyl)acetate
• IUPAC Name: methyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
• Canonical SMILES: CCC=CCC1C(CCC1=O)CC(=O)OC
• InChI: 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-/t10-,11-/m1/s1
• InChI Key: GEWDNTWNSAZUDX-SNAWJCMRSA-N
• Boiling Point: 110ºC
• Melting Point: 25 °C
• Flash Point: 128.6ºC
• Density: 1.003 g/cm³
• Solubility: In water, 340 mg/L at 25 °C (est). Soluble in oils; Slightly soluble in water. Soluble (in ethanol)
• Appearance: Colorless liquid
• CompoundIs Canonicalized: Yes
• Decomposition: -76.5 deg at 25 °C/D (concn = 3.4 in CH3OH)
• Defined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 1
• Deprecated CAS: 17627-54-2, 42536-40-3, 54595-01-6
• EC Number: 254-705-5
• Exact Mass: 224.14100
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 16
• Henry's Law Constant: 1.38X10-8 atm-cu m/mol at 25 °C (est)
• Isomeric SMILES: CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)OC
• Isotope Atom Count: 0
• Monoisotopic Mass: 224.14124450 g/mol
• Odor Threshold: 5.7 ppm
• Optical Rotation: -76.5 deg at 25 °C/D (concn = 3.4 in CH3OH)
• Physical Description: Colorless liquid with a sharp odor
• Refractive Index: 1.4730 at 21.8 °C/D
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 43.4Ų
• Undefined Bond Stereocenter Count: 0
• Vapor Pressure: 3.37X10-4 mm Hg at 25 °C (est)
• XLogP3-AA: 1.9

Custom Q&A

What is the molecular formula of Methyl jasmonate?

The molecular formula of Methyl jasmonate is C13H20O3.

What are some synonyms for Methyl jasmonate?

Some synonyms for Methyl jasmonate are (-)-Methyl jasmonate and Methyl cis-jasmonate.

What is the molecular weight of Methyl jasmonate?

The molecular weight of Methyl jasmonate is 224.30 g/mol.

What is the IUPAC name of Methyl jasmonate?

The IUPAC name of Methyl jasmonate is methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate.

What is the InChI of Methyl jasmonate?

The InChI of Methyl jasmonate is 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-/t10-,11-/m1/s1.

What is the InChIKey of Methyl jasmonate?

The InChIKey of Methyl jasmonate is GEWDNTWNSAZUDX-WQMVXFAESA-N.

What is the canonical SMILES of Methyl jasmonate?

The canonical SMILES of Methyl jasmonate is CCC=CCC1C(CCC1=O)CC(=O)OC.

What is the CAS number of Methyl jasmonate?

The CAS number of Methyl jasmonate is 1211-29-6.

Where can Methyl jasmonate be found naturally?

Methyl jasmonate can be found naturally in Ficus superba, Lonicera japonica, and other organisms.

What is the LOTUS database?

The LOTUS database is a natural products occurrence database.