Consensus flow list

Identity

Type
Neutral molecule
CAS
590-19-2
EC
209-674-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Buta-1,2-diene

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QNRMTGGDHLBXQZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3
IUPAC name chemrof:IUPAC_name Buta-1,2-diene
Molecular formula chemrof:molecular_formula C4H6
Molecular mass chemrof:molecular_mass 54.092
Monoisotopic mass chemrof:monoisotopic_mass 54.04695
SMILES string chemrof:smiles_string C=C=CC

Known URLs

14

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
beilstein beilstein:1730808 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=26160-98-5 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=590-19-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39480 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.796 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5027225 enrich_references.pubchem_identifier_url
gmelin gmelin:1144 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2AZI943A8R enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0302194 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.683B enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56321 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11535 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q161451 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,2-Butadiene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
83d56af1-0fdb-4f8b-b552-0e97da90ecfb Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e69f6f82-714a-414c-8a55-0b1a3c224026 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8c9db1f0-cc48-4e29-b440-a281e7582dae Environmental → Air → Indoor EF 3.1 kg 4
e29d2dbd-f2e0-4ae7-b550-1bba4e7e85f3 Environmental → Air → Long-term EF 3.1 kg 0
bc1b64b2-6851-44a2-94b6-17c4545fafa0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
69c1ba28-734e-423e-9aa6-e6406f30e0cd Environmental → Air → Unknown EF 3.1 kg 4
2a3dc6bd-1d39-4fed-b361-0b27b60a08e6 Environmental → Ground → Agricultural EF 3.1 kg 4
036676df-c19f-4d29-b043-f857e1eb2db0 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4f3130e8-08bf-4c3c-b395-f9f3dc53e6fe Environmental → Ground → Unknown EF 3.1 kg 4
7f40e351-dfea-4d3e-8799-56759c5dcd54 Environmental → Water → Long-term EF 3.1 kg 0
ee9913ed-2a9b-425d-898d-59e3573ea569 Environmental → Water → Ocean EF 3.1 kg 4
65371d1e-4941-4b55-b87a-f61e1c603b57 Environmental → Water → Surface water EF 3.1 kg 4
d3fb181d-7bed-4a91-b493-12e0e6189fdb Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
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  "altLabel": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=590-19-2"
        }
      ],
      "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": [
        "209-674-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=209-674-2"
      ],
      "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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