Brightway Flows 1.0
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Dec-1-en-1-yl Ethyl Ether

fo-49b34d4f80af3317

Identity

Type
Neutral molecule
CAS
61668-40-4
EC
440-020-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Dec-1-en-1-yl Ethyl Ether

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OGHVFBHUBBKMAK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12-13-4-2/h11-12H,3-10H2,1-2H3
IUPAC name chemrof:IUPAC_name Dec-1-en-1-yl Ethyl Ether
Molecular formula chemrof:molecular_formula C12H24O
Molecular mass chemrof:molecular_mass 184.323
Monoisotopic mass chemrof:monoisotopic_mass 184.182715
SMILES string chemrof:smiles_string CCCCCCCCC=COCC

Known URLs

5

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=61668-40-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.166.846 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10886453 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/53422433 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82865285 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
84ccd8f2-eb0c-4944-88fd-e0f402176dcd Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ab8a9857-e59f-4aa8-83fc-789e065810cf Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
51a55bfc-d2b3-4abc-9fac-555e2c2b5b6c Environmental → Air → Indoor EF 3.1 kg 2
2cc6fe9c-2086-4303-9644-eeb725e8e2bd Environmental → Air → Long-term EF 3.1 kg 0
219c298a-c5c5-4e3d-ac85-c497fa0359e2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
05c239d1-562f-4d64-8d67-83cfd0beafbc Environmental → Air → Unknown EF 3.1 kg 2
4d9d67a5-693a-4dba-abaf-d462b69e4d6e Environmental → Ground → Agricultural EF 3.1 kg 2
75343483-5603-4bea-a316-d930e026af7e Environmental → Ground → Non-agricultural EF 3.1 kg 2
59dee7a6-4746-4f0f-8d98-8b93d74f7b24 Environmental → Ground → Unknown EF 3.1 kg 2
8638570c-08fb-43d4-aded-6c55b261820f Environmental → Water → Long-term EF 3.1 kg 0
a79d9fef-b80b-4274-86a8-af419b8f61fe Environmental → Water → Ocean EF 3.1 kg 2
8303a8b8-c125-4ee2-ba9a-2b1c3af4ed9f Environmental → Water → Surface water EF 3.1 kg 2
3fe38352-5db0-4df0-adb1-6a0128d86f85 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-49b34d4f80af3317",
  "prefLabel": [
    {
      "@value": "Dec-1-en-1-yl Ethyl Ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Decene, 1-ethoxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Decenyl ethyl ether",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "1-Ethoxy-1-decene",
      "@language": "en",
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  "properties": {
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    },
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      "rdfs:label": "InChIKey",
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    },
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        },
        {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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      ],
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      ],
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        ]
      },
      "attested_by": {
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          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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          ]
        },
        {
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          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "184.323": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "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": [
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      "provenance": [
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        {
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          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CCCCCCCCC=COCC"
          ]
        }
      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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      "provenance": {
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        ],
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "05c239d1-562f-4d64-8d67-83cfd0beafbc",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
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      "types": [
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      ],
      "provenance": {
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    }
  },
  "classifications": {
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      "rdfs:seeAlso": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        }
      ],
      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
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  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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