Consensus flow list

Identity

Type
Neutral molecule
CAS
25371-54-4
EC
246-904-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Dimethyl Octadecylphosphonate

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FPYLHOQPWCQAIJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H43O3P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22-2)23-3/h4-20H2,1-3H3
IUPAC name chemrof:IUPAC_name Dimethyl Octadecylphosphonate
Molecular formula chemrof:molecular_formula C20H43O3P
Molecular mass chemrof:molecular_mass 362.535
Monoisotopic mass chemrof:monoisotopic_mass 362.294982
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCCCCCP(=O)(OC)OC

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=25371-54-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.042.625 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7067087 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J250.441C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/117455 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81993667 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e5b343aa-aa6f-4917-83b3-434a24fb04b1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3c046322-2dab-48f7-9adb-6767ce5367fe Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7eab1e60-5c83-4d5a-8735-a26cca72b448 Environmental → Air → Indoor EF 3.1 kg 2
33f4b738-8469-44bf-a8c9-c7e55c148fa6 Environmental → Air → Long-term EF 3.1 kg 0
c4e2ab7b-f196-480c-b75a-92bfed33f7fa Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
7d02fde6-4fd2-4876-be07-cf2715bcc538 Environmental → Air → Unknown EF 3.1 kg 2
a3906310-f14a-4f27-928c-3aa0bf1d4e04 Environmental → Ground → Agricultural EF 3.1 kg 2
95ae231b-35a7-469e-be40-b23ed23fb10a Environmental → Ground → Non-agricultural EF 3.1 kg 2
460fab5c-a545-4d96-9a45-3ffab3746f10 Environmental → Ground → Unknown EF 3.1 kg 2
3202e2d4-a814-410a-8a96-42123b128148 Environmental → Water → Long-term EF 3.1 kg 0
87d79dc3-727f-4bed-b70e-02ddfa5cf9ca Environmental → Water → Ocean EF 3.1 kg 2
8ff27383-cb7b-4339-a873-e3a390b8a389 Environmental → Water → Surface water EF 3.1 kg 2
6a5476dc-5101-4fb2-803b-8e72e8012c10 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-e257b98060bf12a4",
  "prefLabel": [
    {
      "@value": "Dimethyl Octadecylphosphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Octadecylphosphonic acid dimethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:25371-54-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=25371-54-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphonic acid, octadecyl-, dimethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphonic acid, P-octadecyl-, dimethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    }
  ],
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        "C20H43O3P"
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        ]
      },
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      "provenance": [
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        {
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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        "CCCCCCCCCCCCCCCCCCP(=O)(OC)OC"
      ],
      "provenance": [
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        },
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            "CCCCCCCCCCCCCCCCCCP(=O)(OC)OC"
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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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      ],
      "provenance": [
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        },
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      ],
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      ],
      "provenance": {
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        ]
      },
      "attested_by": {
        "Dimethyl Octadecylphosphonate": [
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCCCP(=O)(OC)OC"
          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCCCP(=O)(OC)OC"
          ]
        }
      ],
      "attested_by": {
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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",
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      "@value": [
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      ],
      "provenance": [
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          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCCCP(=O)(OC)OC"
          ]
        }
      ],
      "attested_by": {
        "362.294982": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "3202e2d4-a814-410a-8a96-42123b128148",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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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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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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