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Ethoxyquin

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Name

Ethoxyquin

EINECS 202-075-7
CAS No. 91-53-2 Density 0.976 g/cm3
PSA 21.26000 LogP 3.83070
Solubility <0.1 g/100 mL at 20 °C in water Melting Point <0 °C
Formula C14H19NO Boiling Point 333.1 °C at 760 mmHg
Molecular Weight 217.311 Flash Point 137.8 °C
Transport Information N/A Appearance Yellow liquid
Safety 24 Risk Codes 22
Molecular Structure Molecular Structure of 91-53-2 (Ethoxyquin) Hazard Symbols HarmfulXn
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;

Article Data 24

Ethoxyquin 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.

 

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