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CAS No.: | 10417-94-4 |
---|---|
Name: | Icosapent |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C20H30O2 |
Molecular Weight: | 302.457 |
Synonyms: | 5,8,11,14,17-Eicosapentaenoic Acid;5,8,11,14,17-Icosapentaenoic Acid;Acid, Eicosapentanoic;Eicosapentaenoic Acid;eicosapentanoic acid;Icosapent;omega 3 Eicosapentaenoic Acid;omega-3-Eicosapentaenoic Acid;Timnodonic Acid |
Density: | 0.941 g/cm3 |
Melting Point: | -54--53 °C(lit.) |
Boiling Point: | 439.3 °C at 760 mmHg |
Flash Point: | 336 °C |
Appearance: | Smell slightly yellow transparent |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 3265 8/PG 3 |
PSA: | 37.30000 |
LogP: | 5.99270 |
eicosapentaenoic acid ethyl ester
all cis-5,8,11,14,17-eicosapentaenoic acid
Conditions | Yield |
---|---|
With ethylenediaminetetraacetic acid; edetate disodium In ethanol; water at 60 - 65℃; for 2h; | 98% |
With immobilized lipase from Candida Antarctica; water In 1,4-dioxane at 55℃; for 3h; Enzymatic reaction; | 98% |
With Candida antarctica lipase; water at 40℃; Hydrolysis; | 97.6% |
(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoic acid methyl ester
all cis-5,8,11,14,17-eicosapentaenoic acid
Conditions | Yield |
---|---|
With lithium hydroxide In tetrahydrofuran; water | 93% |
With lithium hydroxide In tetrahydrofuran for 15h; Ambient temperature; | 92% |
5,8,11,14,17-eicosapentaynoic acid
all cis-5,8,11,14,17-eicosapentaenoic acid
Conditions | Yield |
---|---|
With hydrogen; Lindlar's catalyst | 85.5% |
eicosapentaenoic acid ethyl ester
ethanolamine
A
all cis-5,8,11,14,17-eicosapentaenoic acid
Conditions | Yield |
---|---|
With Novozym 435 lipase on resin In acetone at 35℃; for 8h; Green chemistry; Enzymatic reaction; | A n/a B 80% |
eicosapentaenoic acid ethyl ester
serinol
A
all cis-5,8,11,14,17-eicosapentaenoic acid
Conditions | Yield |
---|---|
With Novozym 435 lipase on resin In acetone at 35℃; for 8h; Green chemistry; Enzymatic reaction; | A n/a B 80% |
2-Amino-1-propanol
eicosapentaenoic acid ethyl ester
A
all cis-5,8,11,14,17-eicosapentaenoic acid
Conditions | Yield |
---|---|
With Novozym 435 lipase on resin In acetone at 35℃; for 8h; Green chemistry; Enzymatic reaction; | A n/a B 78% |
3-Dimethylamino-1-propanol
eicosapentaenoic acid ethyl ester
A
all cis-5,8,11,14,17-eicosapentaenoic acid
Conditions | Yield |
---|---|
With Novozym 435 lipase on resin In acetone at 35℃; for 18h; Green chemistry; Enzymatic reaction; | A n/a B 28% |
eicosapentaenoic acid ethyl ester
serinol
A
all cis-5,8,11,14,17-eicosapentaenoic acid
B
C23H37NO3
Conditions | Yield |
---|---|
With Novozym 435 lipase on resin In acetone at 35℃; for 18h; Green chemistry; Enzymatic reaction; | A n/a B 25% |
(2S)-1-O-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-O-(6Z,9Z,12Z,15Z-octadecatetranoyl)-3-β-D-galactopyranosyl-sn-glycerol
A
all cis-5,8,11,14,17-eicosapentaenoic acid
B
(6Z,9Z,12Z,15Z)-Octadeca-6,9,12,15-tetraenoic acid (R)-1-hydroxymethyl-2-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-ethyl ester
Conditions | Yield |
---|---|
With Lypase type XIII In 1,4-dioxane; water at 37℃; for 4h; Yield given; |
all cis-5,8,11,14,17-eicosapentaenoic acid
Conditions | Yield |
---|---|
With hydrogenchloride In diethylene glycol dimethyl ether at 120℃; for 1h; Yield given; |
The 5,8,11,14,17-Eicosapentaenoicacid,(5Z,8Z,11Z,14Z,17Z)- with CAS registry number of 10417-94-4 is also called Eicosapentanoic acid. The IUPAC name is (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid. In addition, the molecular formula is C20H30O2 and the molecular weight is 302.45. It is a kind of colorless oil and belongs to the classes of Mixed Fatty Acids; Biochemistry; Higher Fatty Acids & Higher Alcohols; Unsaturated Higher Fatty Acids; Fatty Acid Derivatives & Lipids; Glycerols.
Physical properties about this chemical are: (1)ACD/LogP: 6.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.41; (4)ACD/LogD (pH 7.4): 3.62; (5)ACD/BCF (pH 5.5): 4869.14; (6)ACD/BCF (pH 7.4): 77.71; (7)ACD/KOC (pH 5.5): 8879; (8)ACD/KOC (pH 7.4): 141.71; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 96.55 cm3; (15)Molar Volume: 321.3 cm3; (16)Polarizability: 38.27 ×10-24cm3; (17)Surface Tension: 35.7 dyne/cm; (18)Density: 0.941 g/cm3; (19)Flash Point: 336 °C; (20)Enthalpy of Vaporization: 76.33 kJ/mol; (21)Boiling Point: 439.3 °C at 760 mmHg; (22)Vapour Pressure: 6.04E-09 mmHg at 25°C.
Uses of 5,8,11,14,17-Eicosapentaenoicacid, (5Z,8Z,11Z,14Z,17Z)-: it can react with diazomethane to get methyl eicosapentaenoate. This reaction will need solvent diethyl ether. The yield is about 93% at reaction temperature of 0 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
(2)InChI: InChI=1/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-
(3)InChIKey: JAZBEHYOTPTENJ-JLNKQSITBZ