Consensus flow list

Identity

Type
Neutral molecule
CAS
68912-13-0
EC
272-805-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoindenyl Propionate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BALAUIYKESNHDW-UHFFFAOYSA-N, BLBJUGKATXCWET-UHFFFAOYSA-N, GEZCQGGSABUIBL-UHFFFAOYSA-N, QLIZAFFWGXEKSU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H18O2/c1-2-12(14)15-11-6-5-10-8-3-4-9(7-8)13(10)11/h5-6,8-11,13H,2-4,7H2,1H3
IUPAC name chemrof:IUPAC_name 3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoindenyl Propionate
Molecular formula chemrof:molecular_formula C13H18O2, C14H22O2
SMILES string chemrof:smiles_string CCC(=O)OC1C=CC2C3CCC(C3)C12

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=68912-13-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.037.725 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20891139 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8036312 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S3ASM14UAS enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J287.068A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J310.533D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/118980811 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3034895 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/73556279 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/86579 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1659916 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q10869279 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q81981781 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a2f2dd2a-8437-4b0c-8b5d-0d94680e4bf7 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08d6aec2-a4ae-48f1-9747-ce1a16b5f402 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
bc2eb808-932e-4d78-b3b5-7764a4f5b78f Environmental → Air → Indoor EF 3.1 kg 4
13c6cf6f-15a5-44b6-a57c-45ea2b1890d3 Environmental → Air → Long-term EF 3.1 kg 0
6e70fd7b-f7d8-42d9-84b9-44ed64b412e3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
5484f380-8429-4623-a308-80a0be1b4839 Environmental → Air → Unknown EF 3.1 kg 4
eefdd667-e31d-414c-b533-1f9bb582f812 Environmental → Ground → Agricultural EF 3.1 kg 4
8c1f1da1-977a-4723-b567-cc8659e736af Environmental → Ground → Non-agricultural EF 3.1 kg 4
1d6c6d5b-8c72-4e13-8316-c8f1d0b996de Environmental → Ground → Unknown EF 3.1 kg 4
7abf96a6-bcad-43d6-a46f-98ab53d0f427 Environmental → Water → Long-term EF 3.1 kg 0
fd6e2675-a17a-4c9c-8657-c3e6e24221e7 Environmental → Water → Ocean EF 3.1 kg 4
13631138-3c34-44c0-8e75-2db385f0b190 Environmental → Water → Surface water EF 3.1 kg 4
4e8c9bd7-4612-42ea-aa22-dc8146493de2 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-f8050d64caf910d0",
  "prefLabel": [
    {
      "@value": "3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoindenyl Propionate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(Hexahydro-4,7-methanoinden-5(or 6)-yl) propionate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=68912-13-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(Hexahydro-4,7-methanoindenyl) propionate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, propanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tricyclodecenyl propionate",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Verdyl propionate",
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}

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