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1211-29-6

1211-29-6 structural image
Product Name: METHYL JASMONATE
Formula: C13H20O3
Synonyms: 3-Oxo-2-(2-pentenyl)cyclopentaneacetic acid, methyl ester;Methyl 3-oxo-2-(2-pentenyl)cyclopentaneacetate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless liquid with a sharp odor; [Merck Index]
Color/Form Colorless liquid
Odor Sharp persistent odor
Boiling Point BP: 110 °C at 0.2 mm Hg
Melting Point 25 °C
Flash Point > 113 degrees C (> 235 degrees F) - closed cup
Solubility very slightly
Density Specific density: 1.021 at 22.6 °C/4 °C
Optical Rotation Specific optical rotation: -76.5 deg at 25 °C/D (concn = 3.4 in CH3OH)
Decomposition Hazardous decomposition products formed under fire conditions. - Carbon oxides
Odor Threshold Aroma threshold values: Detection: 5.7 ppm
Refractive Index Index of refraction: 1.4730 at 21.8 °C/D
Kovats Retention Index 1605 1625
Other Experimental Properties Colorless oil. Index of refraction: 1.486 at 23 °C/D. Specific optical rotation: -73 deg at 25 °C/D (concn = 1 in CH3OH) /Jasmonic acid/
Chemical Classes Biological Agents -> Plant Oils and Extracts

COMPUTED DESCRIPTORS

Molecular Weight 224.30 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 224.14124450 g/mol
Monoisotopic Mass 224.14124450 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 281
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

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.