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| CAS No.: | 1180-71-8 |
|---|---|
| Name: | Limonin |
| Molecular Structure: | |
|
|
|
| Formula: | C26H30O8 |
| Molecular Weight: | 470.519 |
| Synonyms: | 11H,13H-Oxireno[d]pyrano[4',3':3,3a]isobenzofuro[5,4-f][2]benzopyran-4,6,13(2H,5aH)-trione,8-(3-furyl)decahydro-2,2,4a,8a-tetramethyl- (8CI);Limonoicacid, di-d-lactone;7,16-Dioxo-7,16-dideoxylimondiol;Citrolimonin;Dictamnolactone;Evodin;Limonine;Obaculactone; |
| Density: | 1.39 g/cm3 |
| Melting Point: | 298 °C |
| Boiling Point: | 668.4 °C at 760 mmHg |
| Flash Point: | 358 °C |
| Appearance: | White to slightly off white powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22 |
| Safety: | 36 |
| PSA: | 104.57000 |
| LogP: | 3.13740 |
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Chemistry
Molecular Structure of Limonin (CAS NO.1180-71-8):
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Empirical Formula: C26H30O8
Molecular Weight: 470.5116
H bond acceptors: 8
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 104.57Å2
Index of Refraction: 1.602
Molar Refractivity: 116.1 cm3
Molar Volume: 338.2 cm3
Surface Tension: 57.5 dyne/cm
Density: 1.39 g/cm3
Flash Point: 358 °C
Enthalpy of Vaporization: 98.24 kJ/mol
Boiling Point: 668.4 °C at 760 mmHg
Vapour Pressure: 9.96E-18 mmHg at 25°C
Melting point: 298 C
Storage temp: 2-8°C
Merck 13,5516
Product Categories: Limonoids (Citrus, Bitter Compounds); Natural Plant Extract
InChI
InChI=1/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20?,23-,24-,25+,26+/m0/s1
Smiles
c1cc(co1)[C@@H]1OC([C@@H]2[C@@]3([C@@]1(CC[C@@H]1[C@]45[C@H](CC(OC4)=O)OC([C@@H]5CC(=O)[C@@]31C)(C)C)C)O2)=O
Safety Profile
Hazard Codes: 
Xn
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36
S36:Wear suitable protective clothing.
WGK Germany: 3
Specification
Limonin , with CAS number of 1180-71-8, can be called Limonoicacid, di-d-lactone ; 11H,13H-Oxireno[d]pyrano[4',3':3,3a]isobenzofuro[5,4-f][2]benzopyran-4,6,13(2H,5aH)-trione,8-(3-furanyl)decahydro-2,2,4a,8a-tetramethyl-, [2aR-(2aa,4ab,4bR*,5aa,8a,8aa,10aa,10bR*,14aa)]- ; 11H,13H-Oxireno[d]pyrano[4',3':3,3a]isobenzofuro[5,4-f][2]benzopyran-4,6,13(2H,5aH)-trione,8-(3-furyl)decahydro-2,2,4a,8a-tetramethyl- (8CI) .