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Eicosapentaenoicacidethylester; 98% (94-70-2)

Identification
Name:Eicosapentaenoicacidethylester; 98%
Synonyms:cis-5,8,11,14,17-Eicosapentaenoic acid ethyl ester; all cis-5,8,11,14,17-Eicosapentaenoic Acid Ethyl Ester; LABOTEST-BB LTBB000532; AKOS 91146; AKOS BBS-00003548; 1-amino-2-ethoxybenzene; 2-PHENETIDINE; 2-ETHOXYBENZAMINE; 2-ETHOXYBENZENAMINE; 2-ETHOXYANILINE; 2-Aminoethoxybenzene; 2-AMINOPHENETOL; 2-AMINOPHENETOLE; O-ETHOXYANILINE; O-PHENETIDINE; o-TIMTEC-BB SBB006726; 2-ethoxy-benzenamin; 2-ethoxyphenylamine; Benzenamine,2-ethoxy-; o-Aminophenetole; o-Aminophenolethylether; O-Phenetidine>99%; o-Phenetidine,98+%; ORTHO-PHENETIDINE; 2-Amino-1-ethoxybenzol
CAS:94-70-2
EINECS: 202-356-4
Molecular Formula: C8H11NO
Molecular Weight: 137.18
InChI: InChI=1/C8H11NO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3
Molecular Structure: (C8H11NO) cis-5,8,11,14,17-Eicosapentaenoic acid ethyl ester; all cis-5,8,11,14,17-Eicosapentaenoic Acid Ethyl...
Properties
Transport:UN 2311
Density:1.051
Stability:Stable under normal temperatures and pressures. Substance may undergo color change upon exposure to light and air.
Refractive index:1.554-1.556
Solubility:0.5-1.0 g/100 mL at 24.5 ºC in water
Appearance:deep red liquid
Specification:

The IUPAC name of o-Phenetidine is 2-ethoxyaniline. With the CAS registry number 94-70-2, it is also named as 1-Amino-2-ethoxybenzene; 2-Ethoxybenzenamine. It is deep red liquid which is slightly soluble in water. Furthermore, this chemical is very sensitive to exposure to light and air. It neutralizes acids in exothermic reactions to form salts plus water. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.62; (5)ACD/BCF (pH 5.5): 9.22; (6)ACD/KOC (pH 5.5): 166.28; (7)ACD/KOC (pH 7.4): 181.89; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 41.8 cm3; (13)Molar Volume: 132.2 cm3; (14)Polarizability: 16.57×10-24 cm3; (15)Surface Tension: 38.5 dyne/cm; (16)Enthalpy of Vaporization: 46.86 kJ/mol; (17)Vapour Pressure: 0.0608 mmHg at 25°C; (18)Rotatable Bond Count: 2; (19)Exact Mass: 137.084064; (20)MonoIsotopic Mass: 137.084064; (21)Topological Polar Surface Area: 35.2; (22)Heavy Atom Count: 10.

Preparation of o-Phenetidine: It can be obtained by 2-nitro-phenetole with reagent H2 and catalytic agent Pd.

Uses of o-Phenetidine: It is used as a dye, perfume, pharmaceutical intermediates. It is also used in organic synthesis. For example: It can react with nicotinonitrile to get N-(2-ethoxy-phenyl)-nicotinamidine. This reaction needs reagent Fe(NO3)3*9H2O, liq. NH3/powd. sodium and solvent diethyl ether. The reaction time is 3 hours. The yield is 70%.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. After contact with skin, wash immediately with plenty of soap-suds. If you want to contact this product, you must wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. Smiles: c1(c(cccc1)N)OCC;
2. InChI: InChI=1/C8H11NO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3.

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 600mg/kg (600mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 52, Pg. 215, 1956.
rabbit LD50 oral 600mg/kg (600mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 52, Pg. 215, 1956.

Report:

The IUPAC name of o-Phenetidine is 2-ethoxyaniline. With the CAS registry number 94-70-2, it is also named as 1-Amino-2-ethoxybenzene; 2-Ethoxybenzenamine. It is deep red liquid which is slightly soluble in water. Furthermore, this chemical is very sensitive to exposure to light and air. It neutralizes acids in exothermic reactions to form salts plus water. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.62; (5)ACD/BCF (pH 5.5): 9.22; (6)ACD/KOC (pH 5.5): 166.28; (7)ACD/KOC (pH 7.4): 181.89; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 41.8 cm3; (13)Molar Volume: 132.2 cm3; (14)Polarizability: 16.57×10-24 cm3; (15)Surface Tension: 38.5 dyne/cm; (16)Enthalpy of Vaporization: 46.86 kJ/mol; (17)Vapour Pressure: 0.0608 mmHg at 25°C; (18)Rotatable Bond Count: 2; (19)Exact Mass: 137.084064; (20)MonoIsotopic Mass: 137.084064; (21)Topological Polar Surface Area: 35.2; (22)Heavy Atom Count: 10.

Preparation of o-Phenetidine: It can be obtained by 2-nitro-phenetole with reagent H2 and catalytic agent Pd.

Uses of o-Phenetidine: It is used as a dye, perfume, pharmaceutical intermediates. It is also used in organic synthesis. For example: It can react with nicotinonitrile to get N-(2-ethoxy-phenyl)-nicotinamidine. This reaction needs reagent Fe(NO3)3*9H2O, liq. NH3/powd. sodium and solvent diethyl ether. The reaction time is 3 hours. The yield is 70%.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. After contact with skin, wash immediately with plenty of soap-suds. If you want to contact this product, you must wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. Smiles: c1(c(cccc1)N)OCC;
2. InChI: InChI=1/C8H11NO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3.

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 600mg/kg (600mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 52, Pg. 215, 1956.
rabbit LD50 oral 600mg/kg (600mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 52, Pg. 215, 1956.

Packinggroup: III
HS Code: 29222200
Storage Temperature: Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Usage:Production of dyes.
Safety Data
Hazard Symbols T:Toxic