Consensus flow list

Identity

Type
Neutral molecule
CAS
72388-18-2
EC
276-627-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-dodecylhexadecan-1-ol

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DEMBLPGWNXUBIQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C28H58O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28(27-29)25-23-21-19-17-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-dodecylhexadecan-1-ol
Molecular formula chemrof:molecular_formula C28H58O
Molecular mass chemrof:molecular_mass 410.771
Monoisotopic mass chemrof:monoisotopic_mass 410.448766
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC

Known URLs

7

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=72388-18-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.069.639 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40888147 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XO7ECC3647 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J299.105E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3018340 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27293936 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b6930793-9f04-4b6c-8657-9f1f852558ba Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1255a277-ba77-4b0f-8b40-b1f3c4fe35eb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7b6f623f-7df4-4774-909a-95f6bd6f8c7a Environmental → Air → Indoor EF 3.1 kg 2
f15436e9-0077-4e5b-9d9a-789d40b8a77c Environmental → Air → Long-term EF 3.1 kg 0
d93f6e2b-1e1b-4f0e-bf60-f6847b40366c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
384a39b0-6256-48d1-b940-453bd607c127 Environmental → Air → Unknown EF 3.1 kg 2
dcd5cf17-22d9-4442-a8b0-61b9f7205589 Environmental → Ground → Agricultural EF 3.1 kg 2
d7286575-9eb4-4546-b40f-6c14ac1d6469 Environmental → Ground → Non-agricultural EF 3.1 kg 2
39a48a85-6da9-4df1-b5b6-b35648bebbab Environmental → Ground → Unknown EF 3.1 kg 2
67b1341b-2593-40a7-9f66-af7896e431d8 Environmental → Water → Long-term EF 3.1 kg 0
875f805e-1303-4783-a4f5-249e89bb6375 Environmental → Water → Ocean EF 3.1 kg 2
331b1c8e-5bf0-4d47-a587-7b8337c67625 Environmental → Water → Surface water EF 3.1 kg 2
253d1810-4f65-429b-a53b-788f4a2f8213 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-513765a0cdd17b1f",
  "prefLabel": [
    {
      "@value": "2-dodecylhexadecan-1-ol",
      "@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, 2-dodecyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:72388-18-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=72388-18-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Dodecyl-1-hexadecanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:72388-18-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=72388-18-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Dodecylhexadecyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:72388-18-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=72388-18-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Tetradecyl-1-tetradecanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:72388-18-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=72388-18-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Guerbet C28",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:72388-18-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=72388-18-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Guerbet C28 alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:72388-18-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=72388-18-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Guerbet octacosanol",
      "@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": "Isofol 28",
      "@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=72388-18-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C28H58O"
      ],
      "attested_by": {
        "C28H58O": [
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        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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        "DEMBLPGWNXUBIQ-UHFFFAOYSA-N"
      ],
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC"
          ]
        }
      ],
      "attested_by": {
        "CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC": [
          "opsin_iupac",
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C28H58O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28(27-29)25-23-21-19-17-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3"
      ],
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C28H58O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28(27-29)25-23-21-19-17-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3": [
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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": [
        "2-dodecylhexadecan-1-ol"
      ],
      "provenance": {
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        ]
      },
      "attested_by": {
        "2-dodecylhexadecan-1-ol": [
          "opsin_iupac"
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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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          ]
        },
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC"
          ]
        }
      ],
      "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": [
        410.448766
      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC"
          ]
        }
      ],
      "attested_by": {
        "410.448766": [
          "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": "1255a277-ba77-4b0f-8b40-b1f3c4fe35eb",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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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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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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