Consensus flow list

Identity

Type
Neutral molecule
CAS
2549-53-3
EC
219-835-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Tetradecyl Methacrylate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ATZHWSYYKQKSSY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3/h2,4-16H2,1,3H3
IUPAC name chemrof:IUPAC_name Tetradecyl Methacrylate
Molecular formula chemrof:molecular_formula C18H34O2
Molecular mass chemrof:molecular_mass 282.468
Monoisotopic mass chemrof:monoisotopic_mass 282.25588
SMILES string chemrof:smiles_string C=C(C)C(=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=2549-53-3 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=30525-99-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.018.033 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9027491 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/64043KD67R enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J107.762G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17351 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27263672 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c2a08f72-1637-450f-8ad3-35cdbc4f6455 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
afb695f6-e414-43da-a124-a92b5d5997df Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
5f1b1676-82de-4e9f-9e25-6a6bc84bc8d7 Environmental → Air → Indoor EF 3.1 kg 4
624026c7-3c31-49c0-bf65-9cec9b981cff Environmental → Air → Long-term EF 3.1 kg 0
25795ddd-0e34-438d-9dd9-a2d4778b9750 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a67b8df4-0476-4ce3-b7f4-00438a9cfd15 Environmental → Air → Unknown EF 3.1 kg 4
204a926f-fbb0-4cfb-9a76-55014685543c Environmental → Ground → Agricultural EF 3.1 kg 4
778f300b-0f02-4032-9fec-ae2dc442e24d Environmental → Ground → Non-agricultural EF 3.1 kg 4
fa22a924-71d3-466c-bd54-028bcab926d9 Environmental → Ground → Unknown EF 3.1 kg 4
dd2aad13-a932-4ed2-9f28-f27bdb2717d5 Environmental → Water → Long-term EF 3.1 kg 0
b075ea5a-edd4-4144-ae63-6f63d3d955f5 Environmental → Water → Ocean EF 3.1 kg 4
1c04473f-56d7-433e-bd39-9694f41f2144 Environmental → Water → Surface water EF 3.1 kg 4
59e59cee-a851-4c4d-b2ac-0c28f9e99c55 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-aa179c43b0d64c83",
  "prefLabel": [
    {
      "@value": "Tetradecyl Methacrylate",
      "@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, methacrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2549-53-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2549-53-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propenoic acid, 2-methyl-, tetradecyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2549-53-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2549-53-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methacrylic acid, tetradecyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2549-53-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2549-53-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Myristyl methacrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2549-53-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2549-53-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Tetradecyl methacrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2549-53-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2549-53-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C18H34O2"
      ],
      "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=C(C)C(=O)OCCCCCCCCCCCCCC"
          ]
        }
      ]
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        "ATZHWSYYKQKSSY-UHFFFAOYSA-N"
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      "attested_by": {
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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          "prov:hadPrimarySource": [
            "C=C(C)C(=O)OCCCCCCCCCCCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "C=C(C)C(=O)OCCCCCCCCCCCCCC"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          "prov:hadPrimarySource": [
            "Tetradecyl Methacrylate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C)C(=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/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3/h2,4-16H2,1,3H3"
      ],
      "provenance": [
        {
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C)C(=O)OCCCCCCCCCCCCCC"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3/h2,4-16H2,1,3H3": [
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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 Methacrylate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Tetradecyl Methacrylate"
        ]
      },
      "attested_by": {
        "Tetradecyl Methacrylate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        282.468
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCOC(=O)C(=C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C)C(=O)OCCCCCCCCCCCCCC"
          ]
        }
      ],
      "attested_by": {
        "282.468": [
          "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": [
        282.25588
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCOC(=O)C(=C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C)C(=O)OCCCCCCCCCCCCCC"
          ]
        }
      ],
      "attested_by": {
        "282.25588": [
          "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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        ],
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    },
    {
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    },
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "1c04473f-56d7-433e-bd39-9694f41f2144",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
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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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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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