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| CAS No.: | 39924-52-2 |
|---|---|
| Name: | 10 G METHYL JASMONATEPURE |
| Molecular Structure: | |
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| Formula: | C13H20O3 |
| Molecular Weight: | 224.3 |
| Synonyms: | Methyl 2-pentenyl-3-oxocyclopentaneacetate; |
| EINECS: | 254-705-5 |
| Density: | 1.004 g/cm3 |
| Boiling Point: | 302.9 °C at 760 mmHg |
| Flash Point: | 128.6 °C |
| Appearance: | Clear to pale yellow liquid |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36-52/53 |
| Safety: | 26-61 |
| PSA: | 43.37000 |
| LogP: | 2.50110 |
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Specification
The CAS register number of Cyclopentaneaceticacid, 3-oxo-2-(2-penten-1-yl)-, methyl ester is 39924-52-2. It also can be called as Methyl epi-jasmonate and the systematic name about this chemical is methyl {3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate. The molecular formula about this chemical is C13H20O3 and the molecular weight is 224.2961. It belongs to the following product categories which include Biochemistry; Plant Growth Regulators; Plant Growth Trgulators (Others) and so on.
Physical properties about Cyclopentaneaceticacid, 3-oxo-2-(2-penten-1-yl)-, methyl ester are: (1)ACD/LogP: 2.12; (2)ACD/LogD (pH 5.5): 2.12; (3)ACD/LogD (pH 7.4): 2.12; (4)ACD/BCF (pH 5.5): 24.21; (5)ACD/BCF (pH 7.4): 24.21; (6)ACD/KOC (pH 5.5): 340.66; (7)ACD/KOC (pH 7.4): 340.66; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 43.37Å2; (11)Index of Refraction: 1.468; (12)Molar Refractivity: 62.2 cm3; (13)Molar Volume: 223.4 cm3; (14)Polarizability: 24.66x10-24cm3; (15)Surface Tension: 32.9 dyne/cm; (16)Flash Point: 128.6 °C; (17)Enthalpy of Vaporization: 54.31 kJ/mol; (18)Boiling Point: 302.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000965 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(C\C=C/CC)C(CC(=O)OC)CC1
(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-
(3)InChIKey: GEWDNTWNSAZUDX-PLNGDYQABD
(4)Std. 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-
(5)Std. InChIKey: GEWDNTWNSAZUDX-PLNGDYQASA-N