Consensus flow list

Identity

Type
Neutral molecule
CAS
106-99-0
EC
203-450-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Butadiene

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KAKZBPTYRLMSJV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
IUPAC name chemrof:IUPAC_name Butadiene
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=CC=C

Known URLs

33

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=106-99-0 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=16422-75-6 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=26952-74-9 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=29406-96-0 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=31567-90-5 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=9003-17-2 enrich_references.pubchem_identifier_url
cdc.gov https://www.cdc.gov/niosh-rtecs/EI8D8678.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39478 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.138 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0017 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3020203 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL537970 enrich_references.pubchem_identifier_url
gmelin gmelin:25198 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JSD5FGP5VD enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041792 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2901.24.10.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.043F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C16450 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C16450 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49537 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29790 enrich_references.pubchem_identifier_url
ppdb ppdb:1636 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7845 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1010 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11018742 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11397424 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7520987 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7859343 enrich_references.chebi_xrefs
reaxys reaxys:605258 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q161503 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,3-Butadiene enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/1,3-butadiene enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Butadiene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4d9a8790-3ddd-11dd-98eb-0050c2490048 Environmental → Air → Aircraft cruise height EF 3.1 kg 7
4d9a8790-3ddd-11dd-98e9-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 7
49004f57-2334-4149-afff-5ed67d15742a Environmental → Air → Indoor EF 3.1 kg 6
4d9a8790-3ddd-11dd-98e8-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 1
4d9a8790-3ddd-11dd-98ea-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 7
4d9a8790-3ddd-11dd-98e7-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 7
4d9a8790-3ddd-11dd-98e5-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
4d9a8790-3ddd-11dd-98ef-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
4d9a8790-3ddd-11dd-98e6-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
4d9a8790-3ddd-11dd-98ed-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9b0a-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
4d9a8790-3ddd-11dd-98ec-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
4d9a8790-3ddd-11dd-98ee-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-df3f420b44c9c067",
  "prefLabel": [
    {
      "@value": "Butadiene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Butadien",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_39478"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,3-butadiene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_39478"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha,gamma-butadiene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_39478"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Biethylene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=106-99-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "bivinyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_39478"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Buta-1,3-dien",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "buta-1,3-diene",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Butadiene-1,3",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=106-99-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CH2=CH-CH=CH2",
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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"
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    },
    {
      "@value": "divinyl",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Erythrene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "vinylethylene",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "α,γ-Butadiene",
      "@language": "en",
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      "provenance": {
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  "properties": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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      "provenance": [
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      "@value": [
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    },
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    },
    "https://w3id.org/chemrof/elemental_charge": {
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      "@value": [
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "provenance": {
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