Basic Information | Post buying leads | Suppliers |
Name |
Embelin |
EINECS | N/A |
CAS No. | 550-24-3 | Density | 1.131g/cm3 |
PSA | 74.60000 | LogP | 4.31310 |
Solubility | N/A | Melting Point |
142-143°C |
Formula | C17H26 O4 | Boiling Point | 431.9oC at 760 mmHg |
Molecular Weight | 294.391 | Flash Point | 229.1oC |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by intraperitoneal route. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and fumes. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Embelin(6CI); p-Benzoquinone, 2,5-dihydroxy-3-undecyl- (7CI,8CI);2,5-Dihydroxy-3-undecyl-1,4-benzoquinone; Embelic acid; Emberine; NSC 91874 |
2,5-bis-methylamino-3-undecyl-[1,4]benzoquinone
embelin
Conditions | Yield |
---|---|
With sulfuric acid; acetic acid |
Conditions | Yield |
---|---|
With acetic acid at 92℃; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sodium peroxide; petroleum ether; water / 0 - 10 °C 2: acetic acid / 92 °C View Scheme |
formaldehyd
embelin
ethyl vinyl ether
2-ethoxy-6-hydroxy-7-undecyl-3,4-dihydro-2H-chromene-5,8-dione
Conditions | Yield |
---|---|
In ethanol at 150℃; for 0.333333h; microwave irradiation; | 100% |
embelin
Conditions | Yield |
---|---|
With ethylenediaminediacetic acid In 1,2-dichloro-ethane at 120℃; for 0.166667h; Microwave irradiation; Sealed tube; regioselective reaction; | 100% |
embelin
Conditions | Yield |
---|---|
With borax In ethanol for 1h; Heating; | 98% |
embelin
3-amino-cyclohex-2-enone
3-Fluorobenzaldehyde
9-(3-fluorophenyl)-2-hydroxy-3-undecyl-6,7,9,10-tetrahydro-5H-acridine-1,4,8-trione
Conditions | Yield |
---|---|
In ethanol at 150℃; for 0.25h; Microwave irradiation; | 98% |
embelin
Conditions | Yield |
---|---|
With ethylenediaminediacetic acid In 1,2-dichloro-ethane at 120℃; for 0.166667h; Microwave irradiation; Sealed tube; regioselective reaction; | 98% |
Molecular Structure of Embelic acid (CAS NO.550-24-3):
IUPAC: 2,5-Dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione
Molecular Formula:C17H26O4
Molecular Weight:294.39
EINECS:208-979-8
Product Categories:Anthraquinones, Hydroquinones and Quinones;Caspases/Apoptosis
Density:1.131 g/cm3
Melting Point:142-143oC
Boiling Point:431.9oC at 760 mmHg
Flash Point:229.1oC
SMILES:O=C1/C=C(/O)C(=O)\C(=C1\O)CCCCCCCCCCC
InChI:InChI=1/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
InChIKey:IRSFLDGTOHBADP-UHFFFAOYAG
Index of Refraction:1.537
Vapor pressure:2.85E-09 mmHg at 25oC
Molar Volume:260.1 cm3
Surface Tension:49.4 dyne/cm
Appearance:Orange crystals (MeOH or hexane/EtOH); Glistening orange plates (benzene, or acetic acid)
Molar Refractivity:81.33 cm3
Enthalpy of Vaporization:79.39 kJ/mol
1. | ipr-uns LD50:44 mg/kg | IJPPAZ Indian Journal of Physiology and Pharmacology. 21 (1977),31. |
Poison by intraperitoneal route. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and fumes.
Safty informations about Embelic acid (CAS NO.550-24-3):
WGK Germany:3
RTECS:DK4230000
Embelic acid with cas registry number of 550-24-3 is also known as 2,5-Dihydroxy-3-undecyl-p-benzoquinon ; 4-Dione,2,5-dihydroxy-3-undecyl-5-cyclohexadiene-1 ; Embelicacid ; Emberine ; Apoptosis activator III ; Embelin ; 2,5-Dihydroxy-3-undecyl-1,4-benzoquinone ; 2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione . It can be soluble in the usual hot organic solvents or in alkali hydroxide solvents but it is practically insoluble in water. Embelic acid is used as an anthelminthic and potent oral contraceptive.