Consensus flow list

Identity

Type
Neutral molecule
CAS
2495-27-4
EC
219-672-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Hexadecyl Methacrylate

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZNAOFAIBVOMLPV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19(2)3/h2,4-18H2,1,3H3
IUPAC name chemrof:IUPAC_name Hexadecyl Methacrylate
Molecular formula chemrof:molecular_formula C20H38O2
Molecular mass chemrof:molecular_mass 310.522
Monoisotopic mass chemrof:monoisotopic_mass 310.28718
SMILES string chemrof:smiles_string C=C(C)C(=O)OCCCCCCCCCCCCCCCC

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=2495-27-4 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25986-80-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.885 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5027485 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CK8I60B77H enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J107.764C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17235 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27275501 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d0b222a3-9dae-48de-8458-391601935a33 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
daad4ab8-2955-4a11-bc8b-3e9e41258993 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0adc7ab8-38d9-4936-b393-1c1928f9f95b Environmental → Air → Indoor EF 3.1 kg 4
640e8e22-5640-4d19-828c-5d05fb58dc01 Environmental → Air → Long-term EF 3.1 kg 0
6abfd196-79d9-4f4b-8997-4eb84075070f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c0455f09-c02b-45e4-a1ad-7f5592f1a7ad Environmental → Air → Unknown EF 3.1 kg 4
8ec350a6-f9ae-46ac-8bed-14afa1299567 Environmental → Ground → Agricultural EF 3.1 kg 4
0f6c15de-06fa-49cb-b5f8-0a0abd465b63 Environmental → Ground → Non-agricultural EF 3.1 kg 4
32d868c7-8237-4905-a9af-5bb0180547ba Environmental → Ground → Unknown EF 3.1 kg 4
f56aaf59-abda-4922-a5d7-1af4f315a9b9 Environmental → Water → Long-term EF 3.1 kg 0
006b328c-c131-44c0-b479-a69eaec86c66 Environmental → Water → Ocean EF 3.1 kg 4
41387662-fda0-4217-8e7e-8fc8c4e53add Environmental → Water → Surface water EF 3.1 kg 4
1f6b46dd-5637-4983-a679-7058d1c98067 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-9c06775e6299b1d8",
  "prefLabel": [
    {
      "@value": "Hexadecyl 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-Hexadecanol, methacrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2495-27-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2495-27-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propenoic acid, 2-methyl-, hexadecyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2495-27-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2495-27-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Blemmer CMA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2495-27-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2495-27-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cetyl methacrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2495-27-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2495-27-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexadecyl 2-methyl-2-propenoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2495-27-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2495-27-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methacrylic acid, hexadecyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2495-27-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Hexadecyl methacrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Palmityl methacrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2495-27-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C20H38O2"
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      },
      "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)OCCCCCCCCCCCCCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ZNAOFAIBVOMLPV-UHFFFAOYSA-N"
      ],
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "C=C(C)C(=O)OCCCCCCCCCCCCCCCC"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "C=C(C)C(=O)OCCCCCCCCCCCCCCCC"
          ]
        }
      ],
      "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/C20H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19(2)3/h2,4-18H2,1,3H3"
      ],
      "provenance": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C)C(=O)OCCCCCCCCCCCCCCCC"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C20H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19(2)3/h2,4-18H2,1,3H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Hexadecyl Methacrylate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "Hexadecyl Methacrylate": [
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCOC(=O)C(=C)C"
          ]
        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "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",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        310.28718
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCOC(=O)C(=C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C)C(=O)OCCCCCCCCCCCCCCCC"
          ]
        }
      ],
      "attested_by": {
        "310.28718": [
          "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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  "created_from": {
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    "semantic_typing": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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}

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