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Methyl jasmonate

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Methyl jasmonate

EINECS 214-918-6
CAS No. 1211-29-6 Density 1.003 g/cm3
Solubility Melting Point
Formula C13H20O3 Boiling Point 302.9 °C at 760mmHg
Molecular Weight 224.3 Flash Point 128.6 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 1211-29-6 (Cyclopentaneaceticacid, 3-oxo-2-(2Z)-2-penten-1-yl-, methyl ester, (1R,2R)-) Hazard Symbols

Cyclopentaneaceticacid, 3-oxo-2-(2-pentenyl)-, methyl ester, (Z)-trans- (8CI);Cyclopentaneaceticacid, 3-oxo-2-(2-pentenyl)-, methyl ester, [1R-[1a,2b(Z)]]-;Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, methyl ester,(1R,2R)- (9CI);(-)-Jasmonic acid methyl ester;(-)-Methyl jasmonate;(3R,7R)-Methyl jasmonate;Jasmonic acid methyl ester;Methyl cis-jasmonate;Methyl jasmonate;Methyl jasmonic acid;Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester, (Z)-trans-;cyclopentaneacetic acid, 3-oxo-2-[(2Z)-2-penten-1-yl]-, methyl ester, (1R,2R)-;Cyclopentaneacetic acid, 3-oxo-2-[(2Z)-2-pentenyl]-, methyl ester, (1R,2R)-;Methyl {(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate;Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester, (1R-(1alpha,2beta(Z)))-;Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester, (Z)-trans-;Cyclopentaneacetic acid, 3-oxo-trans-2-(cis-2-pentenyl), methyl ester;


Methyl jasmonate Specification

The Cyclopentaneaceticacid, 3-oxo-2-(2Z)-2-penten-1-yl-, methyl ester, (1R,2R)-, with the CAS registry number 1211-29-6 and EINECS registry number 214-918-6, has the systematic name of methyl {(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate. And the molecular formula of the chemical is C13H20O3.

The characteristics of Cyclopentaneaceticacid, 3-oxo-2-(2Z)-2-penten-1-yl-, methyl ester, (1R,2R)- are as followings: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.21; (6)ACD/BCF (pH 7.4): 24.21; (7)ACD/KOC (pH 5.5): 340.66; (8)ACD/KOC (pH 7.4): 340.66; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 62.2 cm3; (15)Molar Volume: 223.4 cm3; (16)Polarizability: 24.66×10-24cm3; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 1.003 g/cm3; (19)Flash Point: 128.6 °C; (20)Enthalpy of Vaporization: 54.31 kJ/mol; (21)Boiling Point: 302.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000965 mmHg at 25°C.    

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)C[C@@H]1[C@H](C(=O)CC1)C\C=C/CC
(2)InChI: InChI=1/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

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