Consensus flow list

Identity

Type
Neutral molecule
CAS
21643-42-5
EC
244-491-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Tetradecyl Acrylate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XZHNPVKXBNDGJD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h4H,2-3,5-16H2,1H3
IUPAC name chemrof:IUPAC_name Tetradecyl Acrylate
Molecular formula chemrof:molecular_formula C17H32O2
Molecular mass chemrof:molecular_mass 268.441
Monoisotopic mass chemrof:monoisotopic_mass 268.24023
SMILES string chemrof:smiles_string C=CC(=O)OCCCCCCCCCCCCCC

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=21643-42-5 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=33827-80-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.040.432 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2066721 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VRE8K887S7 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J107.541A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/88984 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81993301 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ef2e5a46-4d30-4cbc-b416-45c284409da3 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4ace7b47-b002-49f6-a927-c3da9ea1882b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1d519afe-9148-4da4-ac43-8e41805b7126 Environmental → Air → Indoor EF 3.1 kg 4
643703a2-612e-4fda-ab48-a4bfb485a724 Environmental → Air → Long-term EF 3.1 kg 0
609526e6-759e-4403-89c7-9e6a6645ce71 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
298c486f-e408-4dc8-9fe4-4bc353f78fe3 Environmental → Air → Unknown EF 3.1 kg 4
0486bbcf-ea10-4781-957a-0ed5eac8d074 Environmental → Ground → Agricultural EF 3.1 kg 4
d8d42c9d-9f6a-4b49-a518-c25e6dc3b3d7 Environmental → Ground → Non-agricultural EF 3.1 kg 4
6544036d-e0cd-4129-ada7-bcc51e97267a Environmental → Ground → Unknown EF 3.1 kg 4
2112e517-3cdf-4978-88ba-4ea662abd742 Environmental → Water → Long-term EF 3.1 kg 0
c2e52afc-aafa-472e-a76e-75022e834334 Environmental → Water → Ocean EF 3.1 kg 4
03ee3286-d613-4e38-a6f7-c88e09589110 Environmental → Water → Surface water EF 3.1 kg 4
1d782179-9aff-4501-a83f-40a598c40bed 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-ab1692854203cc36",
  "prefLabel": [
    {
      "@value": "Tetradecyl Acrylate",
      "@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": "1-Tetradecanol, acrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:21643-42-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=21643-42-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propenoic acid, tetradecyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:21643-42-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=21643-42-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acrylic acid, tetradecyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:21643-42-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=21643-42-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Myristyl acrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:21643-42-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=21643-42-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Tetradecyl acrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:21643-42-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=21643-42-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C17H32O2"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=CC(=O)OCCCCCCCCCCCCCC"
          ]
        }
      ]
    },
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        "XZHNPVKXBNDGJD-UHFFFAOYSA-N"
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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          "prov:hadPrimarySource": [
            "C=CC(=O)OCCCCCCCCCCCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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        "C=CC(=O)OCCCCCCCCCCCCCC"
      ],
      "provenance": [
        {
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          ]
        },
        {
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          "prov:hadPrimarySource": [
            "C=CC(=O)OCCCCCCCCCCCCCC"
          ]
        }
      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C17H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h4H,2-3,5-16H2,1H3"
      ],
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=CC(=O)OCCCCCCCCCCCCCC"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C17H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h4H,2-3,5-16H2,1H3": [
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Tetradecyl Acrylate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Tetradecyl Acrylate"
        ]
      },
      "attested_by": {
        "Tetradecyl Acrylate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        268.441
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCOC(=O)C=C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=CC(=O)OCCCCCCCCCCCCCC"
          ]
        }
      ],
      "attested_by": {
        "268.441": [
          "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": [
        268.24023
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCOC(=O)C=C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=CC(=O)OCCCCCCCCCCCCCC"
          ]
        }
      ],
      "attested_by": {
        "268.24023": [
          "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": {
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    "seed_uuid": "03ee3286-d613-4e38-a6f7-c88e09589110",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
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  "classifications": {
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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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