Consensus flow list

Identity

Type
Neutral molecule
CAS
90474-13-8
EC
291-751-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Diethyl Cyclopentane-1,2-dicarboxylate

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YLRALQSVMCXBSD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H18O4/c1-3-14-10(12)8-6-5-7-9(8)11(13)15-4-2/h8-9H,3-7H2,1-2H3
IUPAC name chemrof:IUPAC_name Diethyl Cyclopentane-1,2-dicarboxylate
Molecular formula chemrof:molecular_formula C11H18O4
Molecular mass chemrof:molecular_mass 214.261
Monoisotopic mass chemrof:monoisotopic_mass 214.120509
SMILES string chemrof:smiles_string CCOC(=O)C1CCCC1C(=O)OCC

Known URLs

6

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=90474-13-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.083.378 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20920372 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J333.351E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3021700 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82893070 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2048abae-9526-4ea3-aeb2-962f6f7ff397 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b019225c-3f44-4fd2-bd37-2331e8cb224a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
05656f91-7d02-4418-8426-7215be96998e Environmental → Air → Indoor EF 3.1 kg 2
31c78264-7d27-4a86-8f64-76945b7acb88 Environmental → Air → Long-term EF 3.1 kg 0
375afaac-2b04-43ba-9938-a7864be7f59b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0dc3c9e2-99b9-4d60-940e-d77e4a6055e7 Environmental → Air → Unknown EF 3.1 kg 2
abd390ce-4f21-4f8b-8146-175b170b08db Environmental → Ground → Agricultural EF 3.1 kg 2
515834dd-2972-48a7-80e4-a428adadb5ec Environmental → Ground → Non-agricultural EF 3.1 kg 2
360c229d-7392-4b62-880b-23407b9e632b Environmental → Ground → Unknown EF 3.1 kg 2
0a4fd802-c62e-4bc5-bf55-481fd0c03e48 Environmental → Water → Long-term EF 3.1 kg 0
cad47dbe-e6a1-4877-bcef-d3cec621305d Environmental → Water → Ocean EF 3.1 kg 2
6d52ec35-ba8e-4972-8524-f98d1b56b59f Environmental → Water → Surface water EF 3.1 kg 2
62b60054-85ca-4eb7-a686-a2aa1d66f175 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-1033f34e6ddbf9ba",
  "prefLabel": [
    {
      "@value": "Diethyl Cyclopentane-1,2-dicarboxylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Bis(ethoxycarbonyl)cyclopentane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Cyclopentanedicarboxylic acid, 1,2-diethyl ester",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Cyclopentanedicarboxylic acid, diethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "1,2-Diethyl 1,2-cyclopentanedicarboxylate",
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  ],
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
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  },
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  "created_from": {
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    "seed_uuid": "05656f91-7d02-4418-8426-7215be96998e",
    "seed_source": "EF 3.1",
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}

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