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Ethoxyquin

fo-6cca6f0c297155c7

Identity

Type
Neutral molecule
CAS
91-53-2
EC
202-075-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Ethoxyquin

What it is used for

4

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
fungicide CHEBI:24127 A substance used to destroy fungal pests. ChEBI
herbicide CHEBI:24527 A substance used to destroy plant pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

37

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DECIPOUIJURFOJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string 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
IUPAC name chemrof:IUPAC_name 1,2-Dihydro-2,2,4-trimethyl-6-ethoxyquinoline
Molecular formula chemrof:molecular_formula C14H19NO
Molecular mass chemrof:molecular_mass 217.312
Monoisotopic mass chemrof:monoisotopic_mass 217.14666, 217.146664
SMILES string chemrof:smiles_string CCOc1ccc2c(c1)C(C)=CC(C)(C)N2

Known URLs

39

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=63301-91-7 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=91-53-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77323 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.887 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9020582 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB16866 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6795 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL172064 enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB019147 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9T1410R4OR enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0039531 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2933.49.10.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.556D enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-5670 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=48568 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C63640 enrich_references.pubchem_identifier_url
patent patent:WO2011028128 enrich_references.chebi_xrefs
pesticides pesticides:ethoxyquin enrich_references.chebi_xrefs
ppdb ppdb:280 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3293 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=196630 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/16199076 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20093172 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20334189 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21902931 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23063794 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23955554 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24127661 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24161146 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27350330 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32760978 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34607038 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/4927196 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/674008 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6769055 enrich_references.chebi_xrefs
reaxys reaxys:158223 enrich_references.chebi_xrefs
vsdb vsdb:280 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q1657816 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ethoxyquin enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
94446e19-aef1-4d2f-a57f-1933da071e8a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1c02041a-59d6-478e-ac07-b99ad8dc2a16 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
17d6bd87-4dbc-4cb8-aec8-6c070f66c7df Environmental → Air → Indoor EF 3.1 kg 4
d0d39107-6d25-4713-b744-4d6c03e1e4b1 Environmental → Air → Long-term EF 3.1 kg 0
fa73a6f2-b4ff-4a1d-9f87-4d9cb018bcf2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
07f009e7-b353-4ee4-b94e-307df808bf40 Environmental → Air → Unknown EF 3.1 kg 4
7fcbc2b1-9aa8-469a-94dd-8a81a5cc9e57 Environmental → Ground → Agricultural EF 3.1 kg 4
e39ec66f-f942-4d46-b43f-d2365499a4b8 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a5f54baa-8ee3-471e-85ee-f51f45345dbc Environmental → Ground → Unknown EF 3.1 kg 4
13744a32-dc8c-4ee7-bae5-095a8d1e7bfa Environmental → Water → Long-term EF 3.1 kg 0
5d21033d-4a80-4ec9-84bc-466e299522b3 Environmental → Water → Ocean EF 3.1 kg 4
55543b00-58a8-45e4-be72-1d0b9acd3f2e Environmental → Water → Surface water EF 3.1 kg 4
ff3a7677-bb89-4bdc-9810-dfab7ca8ba50 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-6cca6f0c297155c7",
  "prefLabel": [
    {
      "@value": "Ethoxyquin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Dihydro-2,2,4-trimethyl-6-ethoxyquinoline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_77323"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,2-dihydro-2,2,4-trimethyl-6-quinolyl ethyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_77323"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,2-Dihydro-6-ethoxy-2,2,4-trimethylquinoline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,2,4-Trimethyl-1,2-dihydro-6-ethoxyquinoline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=91-53-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2,4-Trimethyl-6-ethoxy-1,2-dihydroquinoline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_77323"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinoline",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "6-ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline",
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      "@value": "Biox SE",
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    },
    {
      "@value": "Dawe's nutrigard",
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      }
    },
    {
      "@value": "EMQ",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethoxyquine",
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      "provenance": {
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      }
    },
    {
      "@value": "Ethyl 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "ethyl 2,2,4-trimethyl-1,2-dihydro-6-quinolyl ether",
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      }
    },
    {
      "@value": "MeSH ID: D005015",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=91-53-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Niflex",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Niflex D",
      "@language": "en",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=91-53-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nocrac AW",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=91-53-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nocrac AW-G",
      "@language": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=91-53-2"
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nonflex AW",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "Nonflex AW-P",
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          "https://commonchemistry.cas.org/detail?cas_rn=91-53-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Quinol ED",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=91-53-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=91-53-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Raluquin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=91-53-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rendox EQ",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=91-53-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Santoflex A",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Santoflex AW",
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}

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