Consensus flow list

Identity

Type
Neutral molecule
CAS
2511-00-4
EC
412-280-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Ethyl 2-cyclohexylpropionate

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PZUDDXJZNSJESK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H20O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
IUPAC name chemrof:IUPAC_name Ethyl 2-cyclohexylpropionate
Molecular formula chemrof:molecular_formula C11H20O2
Molecular mass chemrof:molecular_mass 184.279
Monoisotopic mass chemrof:monoisotopic_mass 184.14633
SMILES string chemrof:smiles_string CCOC(=O)C(C)C1CCCCC1

Known URLs

8

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=2511-00-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.101.164 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.213.679 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90862977 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2CR413Z52J enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J160.453H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/160641 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27254567 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c1598898-c5e0-46dd-a375-251430fc47f5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0f34d193-30f0-401a-aba7-2d95fd6ea10d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ac1f7427-8097-4f2a-962c-f64750084b5c Environmental → Air → Indoor EF 3.1 kg 2
26ce7506-bc94-405a-94ff-0c525b4841e3 Environmental → Air → Long-term EF 3.1 kg 0
756640ff-702e-4ba5-bc3e-85be269abcfa Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
59ac95e4-3395-4df5-a754-70f52f88ef4e Environmental → Air → Unknown EF 3.1 kg 2
debd2490-9665-4995-8d3f-f203b761a14b Environmental → Ground → Agricultural EF 3.1 kg 2
b5b050a8-bb18-4bf8-884a-1819040f4575 Environmental → Ground → Non-agricultural EF 3.1 kg 2
809e821a-f37e-4b94-911d-996e1b9381a3 Environmental → Ground → Unknown EF 3.1 kg 2
6d25bfc7-b0a8-4ec7-83aa-6e1ccac0f128 Environmental → Water → Long-term EF 3.1 kg 0
8e97ccdb-d469-4b27-b4f2-28a102681771 Environmental → Water → Ocean EF 3.1 kg 2
95dafffa-9fef-4fb1-99e0-e5032af111f4 Environmental → Water → Surface water EF 3.1 kg 2
668846dd-9602-447f-aca2-e5e3a51224ac 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-804871d558eff608",
  "prefLabel": [
    {
      "@value": "Ethyl 2-cyclohexylpropionate",
      "@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": "Cyclohexaneacetic acid, α-methyl-, ethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2511-00-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2511-00-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl 2-cyclohexylpropanoate",
      "@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": "Poirenate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C11H20O2"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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      "rdfs:label": "InChIKey",
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    },
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      "provenance": [
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        },
        {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      ],
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        },
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          ]
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "Ethyl 2-cyclohexylpropionate": [
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "184.279": [
          "rdkit_post_consensus",
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        184.14633
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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        },
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "184.14633": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J160.453H",
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  ],
  "created_from": {
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    "seed_uuid": "0f34d193-30f0-401a-aba7-2d95fd6ea10d",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  },
  "classifications": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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