Ethoxyquin

HCID 3293CAS 63301-91-7

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Basic information

Standard SMILES: CCOc1ccc2c(c1)C(C)=CC(C)(C)N2
InChIKey: DECIPOUIJURFOJ-UHFFFAOYSA-N
Molecular formula: C14H19NO
Average molar mass: 217.312 g/mol
Monoisotopic mass: 217.14666423

Names & identifiers

Preferred name: Ethoxyquin
IUPAC: 6-Ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline
English name: Ethoxyquin
Molecular formula: C14H19NO
Molecular weight: 217.31

Names & synonyms

eqEthoxiquinethoxyquineemqSantoflexEthoxyQuinoline6-ETHOXY-2,2,4-TRIMETHYL-1,2-DIHYDROQUINOLINE1,2-dihydro-2,2,4-trimethyl-6-ethoxyquinolineETMDQniflex

Database identifiers

CAS: 63301-91-7、91-53-2
PubChem CID: 3293
DTXSID: DTXSID9020582
ChEMBL: CHEMBL172064
ChEBI: CHEBI:77323
UNII: 9T1410R4OR
EC Number: 202-075-7
Nikkaji: J3.556D

Properties

Physicochemical properties

Melting point: 0 °C · <0°C
Boiling point: 123 · 123-125°C
Density: 1.03 g/mL · 1.03 g/mL at 20 °C (lit.)
vapor pressure: 0.035 Pa · 0.035Pa at 25℃
refractive index: 1.569 · 1.569~1.571
Flash point: 137 °C · 137 °C
storage temp.: 2 · 2-8°C
solubility: 50 mL/L, · ethanol: 50 mL/L, clear, brown
form: Liquid
pka: 5.02 · 5.02±0.70(Predicted)
color: Yellow to Very Dark Brown
Water Solubility: 0.1 g/100 · <0.1 g/100 mL at 20 ºC
Merck: 14 · 14,3753
BRN: 158223 · 158223
Henry's Law Constant: 8 · 8.0×100 mol/(m3Pa) at 25℃, Ebert et al. (2023)
Stability: Stable. Combustible. Incompatible with oxidizing agents, strong acids. Polymerizes if heated. May polymerize upon exposure to light and air.
Major Application: cleaning productscosmeticsfood and beveragespersonal care
InChI: 1S/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
InChIKey: DECIPOUIJURFOJ-UHFFFAOYSA-N
SMILES: CCOc1ccc2NC(C)(C)C=C(C)c2c1
LogP: 3.39 · 3.39
CAS DataBase Reference: 91 · 91-53-2(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS): ETHOXYQUIN
FDA 21 CFR: 177.26 · 177.2600
EWG's Food Scores: 4 · 4-5
FDA UNII: 9 T1410R4OR · 9T1410R4OR
NIST Chemistry Reference: 6 · Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-(91-53-2)
EPA Substance Registry System: Ethoxyquin (91-53-2)
Pesticides Freedom of Information Act (FOIA): Ethoxyquin
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 301 · P301+P312+P330
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 22 · 22
Safety Statements: 24 · 24
RIDADR: 3082 · 3082
WGK Germany: 1 · 1
RTECS: 8225000 · VB8225000
F: 2 · 2-8-10
TSCA: TSCA listed
HazardClass: 9 · 9
PackingGroup: III
HS Code: 29334900 · 29334900
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral
Hazardous Substances Data: 91 · 91-53-2(Hazardous Substances Data)
Toxicity: 50 orally · LD50 orally in rats, mice: 1920, 1730 mg/kg (Piul'skaya)
REACH Registrations: Inactive

Safety & regulation

Safety data

F: 2-8-10
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 1
tsca: TSCA listed
rtecs: VB8225000
ridadr: 3082
hs_code: 29334900
Toxicity: LD50 orally in rats, mice: 1920, 1730 mg/kg (Piul'skaya)
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 24
hazard_class: 9
Storage Class: 10 - Combustible liquids
packing_group: III
Hazard statements: H302
REACH Registrations: Inactive
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P301+P312+P330
Hazardous Substances Data: 91-53-2(Hazardous Substances Data)

Chemistry & industry

Applications · 4 items

DescriptionEthoxyquin is used as an antioxidant in animal feed and caused contact dermatitis in a worker at an animal feed mill.

UsesEthoxyquin is an antioxidant used in the preservation of color in chili powder, ground chili, and paprika.

UsesAntioxidant in feed and food; antidegradation agent for rubber.

General DescriptionClear light yellow to dark brown viscous liquid. Discolors and stains badly. Mercaptan-like odor.

Upstream & downstream products

Upstream raw materials

Downstream products

Mesityl oxide 2,2,4-Trimethyl-1,2-dihydro-quinolin-6-ol

Suppliers50 total

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]

Additional notes · 1 item

DefinitionChEBI: 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 herbicide, an UDP-glucuronosyltransferase activator, a neuroprotective agent, a Hsp90 inhibitor, a genotoxin, a food antioxidant, a geroprotector and an antifungal agrochemical. It is a member of quinolines and an aromatic ether.