Consensus flow list

Identity

Type
NeutralMolecule
CAS
96-29-7
EC
202-496-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Butanone Oxime

Alternative labels

18

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WHIVNJATOVLWBW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3
IUPAC name chemrof:IUPAC_name Butanone Oxime
Molecular formula chemrof:molecular_formula C4H9NO
Molecular mass chemrof:molecular_mass 87.122
Monoisotopic mass chemrof:monoisotopic_mass 87.068414
SMILES string chemrof:smiles_string CCC(C)=NO

Known URLs

8

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=96-29-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.270 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1021821 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3181847 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2928.00.10.00 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7292 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1993 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q106902643 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f79bbb7f-de2b-4b8f-8a2e-c03a3e84870c Environmental → Air → Aircraft cruise height EF 3.1 kg 6
0a2a71f2-4f59-4a67-b5f1-d633039ce0ea Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
d04712bc-d600-447f-9415-da7a879487f1 Environmental → Air → Indoor EF 3.1 kg 6
df2892db-86bd-4ab7-af40-ee7c9668340b Environmental → Air → Long-term EF 3.1 kg 0
b488c910-4637-4067-baac-2601e24d6277 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
0c17afa7-2be1-4dd9-aedf-69609df1ecf4 Environmental → Air → Unknown EF 3.1 kg 6
02b9b907-abc4-4ba3-b5c1-8810870ea480 Environmental → Ground → Agricultural EF 3.1 kg 6
8aae608b-7738-4c47-980e-dec8735ed4b4 Environmental → Ground → Non-agricultural EF 3.1 kg 6
4debec6c-94f7-4491-a642-0dd9cf5c8184 Environmental → Ground → Unknown EF 3.1 kg 6
012af272-5032-46b5-9cc9-4d59fde63979 Environmental → Water → Long-term EF 3.1 kg 0
3936f0d1-3785-4050-8697-f174ebf01914 Environmental → Water → Ocean EF 3.1 kg 6
aa287add-2245-47dd-82ce-478feb7caed5 Environmental → Water → Surface water EF 3.1 kg 6
de31c660-0210-4ff5-9fec-22ce605cf4f3 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
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          "@id": "https://commonchemistry.cas.org/detail?cas_rn=96-29-7"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "202-496-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=202-496-6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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