Consensus flow list

Identity

Type
Neutral molecule
CAS
124-19-6
EC
204-688-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Nonanal

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GYHFUZHODSMOHU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
IUPAC name chemrof:IUPAC_name Nonanal
Molecular formula chemrof:molecular_formula C9H18O
Molecular mass chemrof:molecular_mass 142.242
Monoisotopic mass chemrof:monoisotopic_mass 142.135765, 142.13577
SMILES string chemrof:smiles_string CCCCCCCCC=O

Known URLs

23

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=124-19-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84268 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.263 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9021639 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5518 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2228376 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/nonanal enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2L2WBY9K6T enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0059835 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.547F enrich_references.pubchem_identifier_url
knapsack knapsack:C00030828 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA06000040 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA06000040 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3438 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-8491 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31289 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1993 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/25172748 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25466114 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25518943 enrich_references.chebi_xrefs
reaxys reaxys:1236701 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q419668 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Nonanal enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
a99f3990-668f-4e12-bed0-024269f4a357 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a25e64f2-7a4f-40c2-869f-427f29e8c477 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c828bd24-d62f-4984-836a-a8562063d612 Environmental → Air → Indoor EF 3.1 kg 4
0661f8d5-bece-4917-92de-379bccf4fbe7 Environmental → Air → Long-term EF 3.1 kg 0
fc9b7dfe-2f43-423f-9398-03fbc8d1d574 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ba16cfc5-df5a-405b-9a03-7d110d329276 Environmental → Air → Unknown EF 3.1 kg 4
77668477-6da5-4305-ab03-bfcdc983d58e Environmental → Ground → Agricultural EF 3.1 kg 4
8aa411a5-173c-4151-8d75-8ed6523f6dda Environmental → Ground → Non-agricultural EF 3.1 kg 4
978674ca-a196-41a1-9d8b-5ca529e3db37 Environmental → Ground → Unknown EF 3.1 kg 4
8d923d7b-edc1-458a-a187-8ee73f810bcd Environmental → Water → Long-term EF 3.1 kg 0
c449bdd9-370b-457f-915f-e9e7a0636f55 Environmental → Water → Ocean EF 3.1 kg 4
5c267f3a-9bc1-48ea-a3c5-e7a2b8461790 Environmental → Water → Surface water EF 3.1 kg 4
a46bb797-0f08-4fed-ab59-ba596030a359 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-69f55c09e12d0319",
  "prefLabel": [
    {
      "@value": "Nonanal",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
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  ],
  "altLabel": [
    {
      "@value": "Aldehyde C 09",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aldehyde C 9",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "n-Nonanal",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Nonylaldehyde",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nonaldehyde",
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    {
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      }
    },
    {
      "@value": "nonanoic aldehyde",
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      }
    },
    {
      "@value": "nonyl aldehyde",
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    },
    {
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    },
    {
      "@value": "pelargonaldehyde",
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    },
    {
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  "properties": {
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