Consensus flow list

Identity

Type
Neutral molecule
CAS
121-32-4
EC
204-464-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Ethylvanillin

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CBOQJANXLMLOSS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
IUPAC name chemrof:IUPAC_name Ethylvanillin
Molecular formula chemrof:molecular_formula C9H10O3
Molecular mass chemrof:molecular_mass 166.176
Monoisotopic mass chemrof:monoisotopic_mass 166.06299, 166.062994
SMILES string chemrof:smiles_string CCOc1cc(C=O)ccc1O

Known URLs

26

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=121-32-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:48408 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.059 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5021968 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1803 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=67240 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL508676 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/ethyl-vanillin enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YC9ST449YJ enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0029665 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2912.42.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.006K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D01086 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D01086 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43971 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76709 enrich_references.pubchem_identifier_url
patent patent:CN101417931 enrich_references.chebi_xrefs
patent patent:WO2011042365 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8467 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/20195833 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22146718 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3160401 enrich_references.chebi_xrefs
reaxys reaxys:1073761 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1311571 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q416958 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ethylvanillin enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
c685493c-861a-4374-88d6-f7052ca234b0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f297c389-7010-4374-99d3-747a01032836 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
34edbb85-0cd1-4d00-8282-ef280b9ce160 Environmental → Air → Indoor EF 3.1 kg 2
24dadb9f-7a1d-49ff-864b-ec987ed0675f Environmental → Air → Long-term EF 3.1 kg 0
2a24fcb6-f35d-48b0-80d5-8eaa1279f4b6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
da83d11e-1b21-4940-97b3-6c7fa0099fcb Environmental → Air → Unknown EF 3.1 kg 2
55ea39d6-567a-4af4-bcfe-4db7fb48f379 Environmental → Ground → Agricultural EF 3.1 kg 2
2ab8802e-ab97-46e9-a89b-07ce8b203eeb Environmental → Ground → Non-agricultural EF 3.1 kg 2
3451f717-1c62-4cec-828f-2c2e951b46f1 Environmental → Ground → Unknown EF 3.1 kg 2
75d601ba-3f29-4860-a089-1cd03f19e13a Environmental → Water → Long-term EF 3.1 kg 0
ac61dad8-2cdf-4163-a012-1aa80b90bdf8 Environmental → Water → Ocean EF 3.1 kg 2
89bf2d1f-30e8-4e3d-9e50-4e0cd02d5695 Environmental → Water → Surface water EF 3.1 kg 2
9aa7f697-1339-49b3-8915-262f65131389 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-23f694e9eecb537b",
  "prefLabel": [
    {
      "@value": "Ethylvanillin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "CAS:121-32-4",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Ethoxy-4-formylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_48408"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-ethoxy-4-hydroxybenzaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "3-ethoxyprotocatechualdehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-Ethylvanillin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-hydroxy-3-ethoxybenzaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Arovanillon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzaldehyde, 3-ethoxy-4-hydroxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=121-32-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "bourbonal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Ethavan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethovan",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ethyl protal",
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      "provenance": {
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      }
    },
    {
      "@value": "Ethyl vanillin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Ethylprotal",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Protocatechuic aldehyde ethyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Quantrovanil",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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      }
    },
    {
      "@value": "Rhodiarome",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "vanilal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Vanillal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vanirom",
      "@language": "en",
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      "provenance": {
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  ],
  "properties": {
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        "C9H10O3"
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      "rdfs:label": "Molecular formula",
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