1211-29-6
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] |
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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 |
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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.