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| CAS No.: | 91-53-2 |
|---|---|
| Name: | Ethoxyquin |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C14H19NO |
| Molecular Weight: | 217.311 |
| Synonyms: | 2,2, 4-Trimethyl-6-ethoxy-1,2-dihydroquinoline;Nocrac AW;Raluquin;6-Ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline;Prestwick_1064;Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-;6-Ethoxy-1, 2-dihydro-2,2,4-trimethylquinoline;Antioxidant EC;USAF B-24;Aries Antox;EMQ;Quinoline, 6-ethoxy-1, 2-dihydro-2,2,4-trimethyl-;Santoquine;Niflex D;Santoquine (VAN);1,2-Dihydro-2,2,4-trimethyl-6-ethoxyquinoline;Quinoline,6-ethoxy-1,2-dihydro-2,2,4- trimethyl-;Nocrack AW;Santoflex A;Ethoxyquine;2,2,4-Trimethyl-6-ethoxy-1,2-dihydroquinoline;Stop-Scald;Quinol ED;Alterungsschutzmittel EC;Santoquin;Ethoxychin [Czech];Permanax 103;Dawes nutrigard;Niflex;Ethoxy quinoline; |
| EINECS: | 202-075-7 |
| Density: | 0.976 g/cm3 |
| Melting Point: | <0 °C |
| Boiling Point: | 333.1 °C at 760 mmHg |
| Flash Point: | 137.8 °C |
| Solubility: | <0.1 g/100 mL at 20 °C in water |
| Appearance: | Yellow liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 24 |
| PSA: | 21.26000 |
| LogP: | 3.83070 |
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Specification
The Ethoxyquin with the cas number 91-53-2, is also called 6-ethoxy-2,2,4-trimethyl-1H-quinolinenamed by IUPAC. There are also other names such as (1)6-Ethoxy-2,2,4-trimethyl-1,2-dihydrochinolin ; (2)6-ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline ; (3)quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl- ; (4)Santoflex. It belongs to the following product categories: (1)Industrial/Fine Chemicals; (2)Inorganic & Organic Chemicals; (3)Antioxidant; (4)Biochemistry; (5)Amines; (6)Aromatics; (7)Heterocycles. Besides, it is stable, but combustible and incompatible with oxidizing agents, strong acids. And it will polymerizes if heated or may polymerize upon exposure to light and air.
Physical properties about this chemical are: (1)ACD/LogP: 3.93 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 3.57 ; (4)ACD/LogD (pH 7.4): 3.92 ; (5)ACD/BCF (pH 5.5): 247.56 ; (6)ACD/BCF (pH 7.4): 559.1 ; (7)ACD/KOC (pH 5.5): 1420.5 ; (8)ACD/KOC (pH 7.4): 3208.1 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 2 ; (12)Polar Surface Area: 12.47 Å2 ; (13)Index of Refraction: 1.511 ; (14)Molar Refractivity: 66.71 cm3 ; (15)Molar Volume: 222.4 cm3 ; (16)Polarizability: 26.44 ×10-24cm3 ; (17)Surface Tension: 29.7 dyne/cm ; (18)Density: 0.976 g/cm3 ; (19)Flash Point: 137.8 °C ; (20)Enthalpy of Vaporization: 57.59 kJ/mol ; (21)Boiling Point: 333.1 °C at 760 mmHg ; (22)Vapour Pressure: 0.00014 mmHg at 25°C
Uses of Ethoxyquin: Ethoxyquin is a quinoline-based antioxidant used as a food preservative (E324) and a pesticide (under commercial names such as "Stop-Scald"). It is commonly used as a preservative in pet foods to prevent the rancidification of fats. Besides, Ethoxyquin is also commonly used in spices to prevent color loss due to oxidation of the natural carotenoid pigments.
You can still convert the following datas into molecular structure :
(1) SMILES: O(c2ccc1c(\C(=C/C(N1)(C)C)C)c2)CC
(2) InChI: InChI=1/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
Toxic information of Ethoxyquin can be showed as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | National Technical Information Service. Vol. AD277-689, | |
| mouse | LD50 | intravenous | 178mg/kg (178mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: COMA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Agricultural and Food Chemistry. Vol. 7, Pg. 203, 1959. |
| mouse | LD50 | oral | 1584mg/kg (1584mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Toksikologicheskii Vestnik. Vol. (6), Pg. 29, 1997. |
| rat | LD50 | oral | 800mg/kg (800mg/kg) | Rubber Chemistry and Technology. Vol. 45, Pg. 627, 1972. |