CAS No.10417-94-4,Icosapent Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	10417-94-4
Name:	Icosapent
Article Data:	26

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

Synthetic route

: 86227-47-6
eicosapentaenoic acid ethyl ester

: 10417-94-4
all cis-5,8,11,14,17-eicosapentaenoic acid

Conditions

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%

: 2734-47-6
(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoic acid methyl ester

: 10417-94-4
all cis-5,8,11,14,17-eicosapentaenoic acid

Conditions

Conditions	Yield
With lithium hydroxide In tetrahydrofuran; water	93%
With lithium hydroxide In tetrahydrofuran for 15h; Ambient temperature;	92%

: 5871-07-8
5,8,11,14,17-eicosapentaynoic acid

: 10417-94-4
all cis-5,8,11,14,17-eicosapentaenoic acid

Conditions

Conditions	Yield
With hydrogen; Lindlar's catalyst	85.5%

: 86227-47-6
eicosapentaenoic acid ethyl ester

: 141-43-5
ethanolamine

A: 10417-94-4
all cis-5,8,11,14,17-eicosapentaenoic acid

B: (5Z,8Z,11Z,14Z,17Z)-N-(2-hydroxyethyl)eicosa-5,8,11,14,17-pentaenamide

Conditions

Conditions	Yield
With Novozym 435 lipase on resin In acetone at 35℃; for 8h; Green chemistry; Enzymatic reaction;	A n/a B 80%

...Expand

: 86227-47-6
eicosapentaenoic acid ethyl ester

: 534-03-2
serinol

A: 10417-94-4
all cis-5,8,11,14,17-eicosapentaenoic acid

B: C23H37NO3

Conditions

Conditions	Yield
With Novozym 435 lipase on resin In acetone at 35℃; for 8h; Green chemistry; Enzymatic reaction;	A n/a B 80%

...Expand

: 6168-72-5
2-Amino-1-propanol

: 86227-47-6
eicosapentaenoic acid ethyl ester

A: 10417-94-4
all cis-5,8,11,14,17-eicosapentaenoic acid

B: C23H37NO2

Conditions

Conditions	Yield
With Novozym 435 lipase on resin In acetone at 35℃; for 8h; Green chemistry; Enzymatic reaction;	A n/a B 78%

...Expand

: 3179-63-3
3-Dimethylamino-1-propanol

: 86227-47-6
eicosapentaenoic acid ethyl ester

A: 10417-94-4
all cis-5,8,11,14,17-eicosapentaenoic acid

B: C25H41NO2

Conditions

Conditions	Yield
With Novozym 435 lipase on resin In acetone at 35℃; for 18h; Green chemistry; Enzymatic reaction;	A n/a B 28%

...Expand

: 86227-47-6
eicosapentaenoic acid ethyl ester

: 534-03-2
serinol

A: 10417-94-4
all cis-5,8,11,14,17-eicosapentaenoic acid

B: 1048012-11-8
C23H37NO3

Conditions

Conditions	Yield
With Novozym 435 lipase on resin In acetone at 35℃; for 18h; Green chemistry; Enzymatic reaction;	A n/a B 25%

...Expand

: 121245-05-4
(2S)-1-O-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-O-(6Z,9Z,12Z,15Z-octadecatetranoyl)-3-β-D-galactopyranosyl-sn-glycerol

A: 10417-94-4
all cis-5,8,11,14,17-eicosapentaenoic acid

B: 144118-12-7
(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

Conditions	Yield
With Lypase type XIII In 1,4-dioxane; water at 37℃; for 4h; Yield given;

: ((3Z,6Z,9Z,12Z,15Z)-2-Octadeca-3,6,9,12,15-pentaenyl)-malonic acid

: 10417-94-4
all cis-5,8,11,14,17-eicosapentaenoic acid

Conditions

Conditions	Yield
With hydrogenchloride In diethylene glycol dimethyl ether at 120℃; for 1h; Yield given;

Raw Materials

928-96-1

Downstream Products

65-85-0

Total:106 Page 1 of 3 1 2 3 Next>>

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Specification

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