Consensus flow list

Identity

Type
NeutralMolecule
CAS
112-41-4
EC
203-968-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for 1-Dodecene

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CRSBERNSMYQZNG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3
IUPAC name chemrof:IUPAC_name 1-Dodecene
Molecular formula chemrof:molecular_formula C12H24
Molecular mass chemrof:molecular_mass 168.324
Monoisotopic mass chemrof:monoisotopic_mass 168.1878, 168.187801
SMILES string chemrof:smiles_string C=CCCCCCCCCCC

Known URLs

46

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=112-41-4 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25067-08-7 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=62132-67-6 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:89713 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.608 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.042.642 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1567 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.7891.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5026914 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=12016 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1872885 enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB005520 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WYE669F3GR enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0059874 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.534A enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA11000313 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA11000313 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5011 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8183 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3295 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/18845334 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19127989 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19385593 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19425604 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19788223 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21217603 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21630444 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21638458 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22291900 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22340537 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22746250 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23023783 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23194584 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23274152 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24421258 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25309846 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29671319 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30659685 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31027258 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31458049 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31796851 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31861261 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31947835 enrich_references.chebi_xrefs
reaxys reaxys:1699848 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q161620 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1-Dodecene enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
466cdad7-533a-4195-922b-91ddfbd7f473 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
922a58e9-47e8-4488-ab56-59be22330f7d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3bf027a4-a2de-41a1-86ea-2dd84def25ad Environmental → Air → Indoor EF 3.1 kg 4
424df3b1-1168-46d8-b853-239cc94cf812 Environmental → Air → Long-term EF 3.1 kg 0
eb190b2e-e703-4da4-a6af-51f56f7f1153 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9b6fa23c-9b83-4572-8bca-cc59a40c5ee7 Environmental → Air → Unknown EF 3.1 kg 4
909b927b-9366-4741-a721-1b43dc78bd44 Environmental → Ground → Agricultural EF 3.1 kg 4
c8c431ff-84fc-4e3d-a416-666b483702ae Environmental → Ground → Non-agricultural EF 3.1 kg 4
ec0caeb3-21da-4036-9372-a07e95fada8e Environmental → Ground → Unknown EF 3.1 kg 4
640d30a6-2148-4d75-86d4-ff594fb58729 Environmental → Water → Long-term EF 3.1 kg 0
575424da-ca25-49ea-9793-1ebbffe24336 Environmental → Water → Ocean EF 3.1 kg 4
38d2c5a3-8ef7-4b32-a232-cbfb401e8395 Environmental → Water → Surface water EF 3.1 kg 4
c2b510db-fd6c-40d5-b5bf-004a165f47ab Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-e116d12f5ae01454",
  "prefLabel": [
    {
      "@value": "1-Dodecene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "adacene 12",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha-dodecene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha-dodecylene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Dialen 12",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dodec-1-ene",
      "@language": "en",
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    },
    {
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    },
    {
      "@value": "LAO-C 12",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Linealene 12",
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    },
    {
      "@value": "Linealene C 12",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-dodec-1-ene",
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    },
    {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Neodene C 12",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Neodene Shop C12",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-Dodecene",
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  ],
  "properties": {
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        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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    },
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      "provenance": [
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      "attested_by": {
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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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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "1-Dodecene": [
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        ]
      }
    }
  },
  "references": [
    {
      "@id": "foodb.food:FDB005520",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi.xrefs_urls"
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    },
    {
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