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2-pentanone Oxime

fo-969aa14213bdedf0

Identity

Type
Neutral molecule
CAS
623-40-5
EC
484-470-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-pentanone Oxime

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FWSXGNXGAJUIPS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H11NO/c1-3-4-5(2)6-7/h7H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-pentanone Oxime
Molecular formula chemrof:molecular_formula C5H11NO
Molecular mass chemrof:molecular_mass 101.149
Monoisotopic mass chemrof:monoisotopic_mass 101.084064
SMILES string chemrof:smiles_string CCCC(C)=NO

Known URLs

5

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=623-40-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.105.460 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID901031548 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/136433 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126609089 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a189fa7a-fdd2-4c3f-beaf-f7da97b675f2 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
95fcba35-5972-446e-9b61-89f0b4a698f9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
70a1ce77-68e6-49ec-848d-4c97e55fb790 Environmental → Air → Indoor EF 3.1 kg 4
cfce7be5-8324-463a-b9ad-affb13bf2c7e Environmental → Air → Long-term EF 3.1 kg 0
f2c366ef-17fa-47ca-9823-047aa961f874 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f75a0540-5e06-498f-a703-31a3c35a6fcf Environmental → Air → Unknown EF 3.1 kg 4
40caba84-066b-40fa-a9e8-331951febae8 Environmental → Ground → Agricultural EF 3.1 kg 4
ce017ba7-ac60-4074-b120-fb3783658985 Environmental → Ground → Non-agricultural EF 3.1 kg 4
2f132414-6efd-4426-9efb-e38c75bb78df Environmental → Ground → Unknown EF 3.1 kg 4
98e45655-20d2-4ea7-b7cf-24c08ee91bcd Environmental → Water → Long-term EF 3.1 kg 0
12893417-1c1f-4b78-8e21-422543ea3f75 Environmental → Water → Ocean EF 3.1 kg 4
0e74a3dd-e5cd-4e56-9bec-321a334c7c9e Environmental → Water → Surface water EF 3.1 kg 4
2c0db99c-d7b0-4d96-bfe0-7847d9aa3629 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-969aa14213bdedf0",
  "prefLabel": [
    {
      "@value": "2-pentanone Oxime",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Pentanone, oxime",
      "@language": "en",
      "@lang": "en",
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    },
    {
      "@value": "Duroxim P",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl n-propyl ketoxime",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl propyl ketone oxime",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "Methyl propyl ketoxime",
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      ],
      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  ],
  "created_from": {
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    "seed_uuid": "0e74a3dd-e5cd-4e56-9bec-321a334c7c9e",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      "provenance": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      ],
      "provenance": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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