Compound: ethoxyquin
SMILES: O(c1cc2c(NC(C)(C)C=C2C)cc1)CC
InChIKey: DECIPOUIJURFOJ-UHFFFAOYSA-N
Synonyms: ethoxyquin, 91-53-2, 6-Ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline, Santoquin, Ethoxyquine, Antioxidant EC, Stop-Scald, Nix-Scald, Santoquine, Niflex, Santoflex A, Santoflex AW, Dawe's nutrigard, Nocrack AW, Quinol ED, Aries Antox, Permanax 103, Amea 100, Niflex D, Antage AW, Nocrac AW, Ethoxychin, Alterungsschutzmittel EC, Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-, 6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinoline, Usaf B-24, 1,2-Dihydro-6-ethoxy-2,2,4-trimethylquinoline, 1,2-Dihydro-2,2,4-trimethyl-6-ethoxyquinoline, NSC-6795, 2,2,4-Trimethyl-6-ethoxy-1,2-dihydroquinoline, DTXSID9020582, 6-ETMDQ, 9T1410R4OR, DTXCID70582, CHEBI:77323, Ethyl 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl ether, RefChem:138435, 202-075-7, Ethoxyquin [ISO], (-)-Normetazocine, Santoquine (VAN), Santoflex, 6-ethoxy-2,2,4-trimethyl-1H-quinoline, EMQ, MFCD00023883, EQ, 6-(ethyloxy)-2,2,4-trimethyl-1,2-dihydroquinoline, CAS-91-53-2, NCGC00016348-02, E324, Ethoxychin [Czech], Caswell No. 427D, CCRIS 2513, HSDB 400, EINECS 202-075-7, EPA Pesticide Chemical Code 055501, SantoquinEQ, UNII-9T1410R4OR, AI3-17715, Prestwick_1064, Ethoxyquin (Standard), Spectrum_001214, ETHOXYQUIN [MI], ETHOXYQUIN [FCC], Prestwick0_000765, Prestwick1_000765, Prestwick2_000765, Prestwick3_000765, Spectrum2_001384, Spectrum3_001423, Spectrum4_000404, Spectrum5_001530, ETHOXYQUIN [HSDB], ETHOXYQUIN [MART.], SCHEMBL21601, BSPBio_000810, BSPBio_003126, KBioGR_000668, KBioSS_001694, MLS001055488, BIDD:GT0822, DivK1c_000183, SPECTRUM1500998, SPBio_001368, SPBio_002749, BPBio1_000892, CHEMBL172064, orb1310320, orb3139629, SCHEMBL11806181, SCHEMBL29357397, HMS500J05, HY-B1425R, KBio1_000183, KBio2_001694, KBio2_004262, KBio2_006830, KBio3_002346, MSK2304, NSC6795, NINDS_000183, HMS1570I12, HMS1923K03, HMS2097I12, HMS3714I12, HMS5084M14, HMS6018D16, 1,2,4-trimethyl-6-ethoxyquinoline, HY-B1425, NSC 6795, 6-Ethoxy-1,2,4-trimethylquinoline, Tox21_110388, Tox21_201336, Tox21_300328, CCG-39002, EBC-03625, Ethoxyquin, >=75% (capillary GC), s5369, SBB012680, STK772149, AKOS000121441, CS-8200, FE22911, IDI1_000183, NCGC00016348-01, NCGC00016348-03, NCGC00016348-04, NCGC00016348-05, NCGC00016348-06, NCGC00016348-07, NCGC00016348-08, NCGC00016348-09, NCGC00016348-15, NCGC00090792-01, NCGC00090792-02, NCGC00090792-03, NCGC00090792-04, NCGC00090792-05, NCGC00254395-01, NCGC00258888-01, AC-11742, AS-14741, SMR000686069, SY051991, DB-057260, Ethoxyquin, Vetec(TM) reagent grade, 75%, ST4083901, WLN: T66 BM CHJ C1 C1 E1 HO2, E 324, E0237, NS00009586, 2,4-Trimethyl-6-ethoxy-1,2-dihydroquinoline, 6-Ethoxy-2,4-trimethyl-1,2-dihydroquinoline, EN300-21213, Ethoxyquin, PESTANAL(R), analytical standard, F85585, 1,2-Dihydro-6-ethoxy-2,2,4-trimethylquin oline, 2,2, 4-Trimethyl-6-ethoxy-1,2-dihydroquinoline, 6-Ethoxy-1, 2-dihydro-2,2,4-trimethylquinoline, 6-Ethoxy-1,2-dihydro-2,2,4-trimethyl-Quinoline, 6-Ethoxy-2,2,4-trimethyl-1, 2-dihydroquinoline, SR-01000854319, Q1657816, SR-01000854319-2, BRD-K56792340-001-05-8, BRD-K56792340-001-13-2, Z104494382, 6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinoline, 9CI, 8CI, A10AE280-05F4-4846-ACAE-D565B0D263A2, Ethyl 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl ether #, 1,2-DIHYDRO-2,2,4-TRIMETHYLQUINOLIN-6-YL ETHYL ETHER, 6-Ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline [Antioxidant for rubber]
Theoretical properties:
molecular_formula: C14H19NO
molecular_weight: 217.31 g/mol
exact_mass: 217.146664230 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 16
topological_polar_surface_area: 21.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: YELLOW LIQUID
color: YELLOW LIQUID
boiling_point: 253 to 257 °F at 2 mmHg (NTP, 1992)
melting_point: less than 32 °F (NTP, 1992)
density: 1.029 to 1.031 at 77 °F (NTP, 1992)
solubility: less than 1 mg/mL at 68 °F (NTP, 1992)
flash_point: 225 °F (NTP, 1992)
vapor_pressure: 1.82e-05 mmHg at 32 °F ; 0.000256 mmHg at 77 °F (NTP, 1992)
Descriptions:
pubchem: Ethoxyquin is a quinoline that is 1,2-dihydroquinoline bearing three methyl substituents at position 2, 2 and 4 as well as an ethoxy substituent at position 6. It has a role as a geroprotector, a herbicide, a genotoxin, a neuroprotective agent, a Hsp90 inhibitor, an UDP-glucuronosyltransferase activator, a food antioxidant and an antifungal agrochemical. It is a member of quinolines and an aromatic ether.
chebi: A quinoline that is 1,2-dihydroquinoline bearing three methyl substituents at position 2, 2 and 4 as well as an ethoxy substituent at position 6.
chembl: E324 is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Ethoxyquin (EMQ) is a quinoline-based antioxidant used as a food preservative in certain countries and originally to control scald on pears after harvest (under commercial names such as "Stop-Scald"). It is used as a preservative in some pet foods to slow the development of rancidity of fats.  Ethoxyquin is also used in some spices to prevent color loss due to oxidation of the natural carotenoid pigments.