Consensus flow list

Identity

Type
NeutralMolecule
CAS
41669-30-1
EC
255-485-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 16-methylheptadecyl 16-methylheptadecanoate

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ABEXEQSGABRUHS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C36H72O2/c1-34(2)30-26-22-18-14-10-6-5-9-13-17-21-25-29-33-38-36(37)32-28-24-20-16-12-8-7-11-15-19-23-27-31-35(3)4/h34-35H,5-33H2,1-4H3
IUPAC name chemrof:IUPAC_name 16-methylheptadecyl 16-methylheptadecanoate
Molecular formula chemrof:molecular_formula C36H72O2
Molecular mass chemrof:molecular_mass 536.97
Monoisotopic mass chemrof:monoisotopic_mass 536.553232
SMILES string chemrof:smiles_string CC(C)CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C

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=41669-30-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.050.424 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3068338 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IV0Z586Z4Y enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J320.116C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/162048 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1363996 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27280907 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f261638e-8975-44a4-8b41-19c2b47ada6a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c7c7c74b-036f-43a9-8bd9-a8862f4a5363 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f2bb1fd5-11fe-4b7d-9eb0-eded5ebc752b Environmental → Air → Indoor EF 3.1 kg 4
aae1cb30-7791-4ae1-93bb-eb7acce5ed20 Environmental → Air → Long-term EF 3.1 kg 0
d95198f2-ff4a-4752-8f06-26faf1a711aa Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
866e6dcd-9571-4af1-9d9f-278fa4bd9aae Environmental → Air → Unknown EF 3.1 kg 4
366005e0-b8ac-4cd2-ac66-e6c00d8ccf6b Environmental → Ground → Agricultural EF 3.1 kg 4
67459835-ad65-471e-a7b5-6e80e2d3b2a0 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a361dc8c-5d8c-4487-a1e2-9fd0973547d4 Environmental → Ground → Unknown EF 3.1 kg 4
126eecc3-33c1-4161-97db-f5e4591f2495 Environmental → Water → Long-term EF 3.1 kg 0
76c4e5ca-b284-41c7-af62-ee967b92cbb0 Environmental → Water → Ocean EF 3.1 kg 4
70a4a885-4231-4935-aa7a-e0c7fa342627 Environmental → Water → Surface water EF 3.1 kg 4
b48ace85-2374-49cb-b639-6f1507bed9e6 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-1e354a41b683002d",
  "prefLabel": [
    {
      "@value": "16-methylheptadecyl 16-methylheptadecanoate",
      "@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": "Crodamol ISIS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:41669-30-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=41669-30-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ISIS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:41669-30-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=41669-30-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isooctadecanoic acid, isooctadecyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:41669-30-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=41669-30-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isooctadecyl isostearate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:41669-30-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=41669-30-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isostearyl isostearate",
      "@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=41669-30-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pelemol II",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Prisorine ISIS 2039",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Schercemol 1818 ester",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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        "C36H72O2"
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      ]
    },
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      ],
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          ]
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      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "provenance": [
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        },
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      ],
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
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      ],
      "provenance": [
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        },
        {
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          ]
        }
      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "16-methylheptadecyl 16-methylheptadecanoate"
      ],
      "provenance": {
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      },
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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        },
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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": [
        536.553232
      ],
      "provenance": [
        {
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          ]
        },
        {
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          ]
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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"
    }
  },
  "references": [
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  "created_from": {
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    "seed_uuid": "126eecc3-33c1-4161-97db-f5e4591f2495",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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