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Nonanoic Acid

fo-0f9534526f3c553b

Identity

Type
Neutral molecule
CAS
112-05-0
EC
203-931-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Nonanoic Acid

What it is used for

2

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
antifeedant CHEBI:22583 A substance that prevents pests from feeding. 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

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FBUKVWPVBMHYJY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
IUPAC name chemrof:IUPAC_name Nonanoic Acid
Molecular formula chemrof:molecular_formula C9H18O2
Molecular mass chemrof:molecular_mass 158.241
Monoisotopic mass chemrof:monoisotopic_mass 158.13068
SMILES string chemrof:smiles_string CCCCCCCCC(=O)O

Known URLs

30

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
bpdb bpdb:1327 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=112-05-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:29019 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.574 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3021641 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62787 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL108436 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/nonanoic-acid enrich_references.pubchem_identifier_url
gmelin gmelin:185341 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/97SEH7577T enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000847 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.991G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C01601 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C01601 enrich_references.pubchem_identifier_url
knapsack knapsack:C00030829 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA01010009 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA01010009 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=31 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-8505 enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C82932 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8158 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017605 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11413921 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16124228 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19274268 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20673187 enrich_references.chebi_xrefs
reaxys reaxys:1752351 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q369777 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Nonanoic_acid enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Pelargonic_acid enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
c8277ca9-bb8c-4a28-8fe2-e7b4c74c45e4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
05bbb565-4c31-454c-aa53-05bd4af7588b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
98148301-7e15-4226-b0e1-5957d153deb1 Environmental → Air → Indoor EF 3.1 kg 4
36e991c9-a91a-4f31-9dd4-3c50fb61a554 Environmental → Air → Long-term EF 3.1 kg 0
09c754e9-a259-411f-896d-d742fd12b4dc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
8c7ea506-f6a6-43eb-ae3d-c04e98aec905 Environmental → Air → Unknown EF 3.1 kg 4
93f45be7-2687-4af0-970d-1a87aa596617 Environmental → Ground → Agricultural EF 3.1 kg 4
88bf8372-178a-461c-a445-473c8a4d54ad Environmental → Ground → Non-agricultural EF 3.1 kg 4
b2c134e716569628e825ea69f3894a4a41dc01eb Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fa497354-ec18-49cd-b10d-db4006b99cf4 Environmental → Ground → Unknown EF 3.1 kg 4
394693dc-4fe3-41a4-8383-955c550f7b6e Environmental → Water → Long-term EF 3.1 kg 0
d353979b-7c8e-45a1-b62a-f356c2720348 Environmental → Water → Ocean EF 3.1 kg 4
f0354b2e-df90-4e5d-b46c-fe18aec90814 Environmental → Water → Surface water EF 3.1 kg 4
2910c7a9-90bf-4de5-a6be-7e339a4a0ee2 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-0f9534526f3c553b",
  "prefLabel": [
    {
      "@value": "Nonanoic Acid",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-nonanoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-octanecarboxylic acid",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "CH3-[CH2]7-COOH",
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      "provenance": {
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    },
    {
      "@value": "Emerion W 90PA",
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        ],
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      }
    },
    {
      "@value": "Grantrico",
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        ],
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      }
    },
    {
      "@value": "Herbatak Ultra",
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      }
    },
    {
      "@value": "Katoun Gold",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-nonanoic acid",
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        ],
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      }
    },
    {
      "@value": "n-Nonoic acid",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Nonylic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Pelargonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=112-05-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nonanoate",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Nonansaeure",
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      }
    },
    {
      "@value": "nonoic acid",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "nonylic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "pelargic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "pelargon",
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      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Pelargonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Pelargonsaeure",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_29019"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "pergonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_29019"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "PLA 500EC",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Thinex",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
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        "C9H18O2"
      ],
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        },
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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    },
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      },
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
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    },
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      ],
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      },
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