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91-53-2

Basic Information
CAS No.: 91-53-2
Name: Ethoxyquin
Molecular Structure:
Molecular Structure of 91-53-2 (Ethoxyquin)
Formula: C14H19NO
Molecular Weight: 217.31
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: HarmfulXn
Risk Codes: 22
Safety: 24
Transport Information:
PSA: 21.26000
LogP: 3.83070
Downstream Products
16489-90-0
1502-22-3
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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.

 

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