Consensus flow list

Identity

Type
Chemical salt
CAS
4454-16-4
EC
224-699-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Nickel(2+) Bis(2-ethylhexanoate)

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UVPKUTPZWFHAHY-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2C8H16O2.Ni/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
IUPAC name chemrof:IUPAC_name Nickel(2+) Bis(2-ethylhexanoate)
Molecular formula chemrof:molecular_formula C16H30NiO4
Molecular mass chemrof:molecular_mass 202.907, 345.105
Monoisotopic mass chemrof:monoisotopic_mass 202.050373, 344.149752
SMILES string chemrof:smiles_string CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ni+2]

Known URLs

5

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=4454-16-4 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=7580-31-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.028.619 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/24231 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126677901 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9e90321d-9043-4093-a0f0-0bd0a7b6b9af Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1e157c53-2ef2-4c01-b846-a6a4ea5791a7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4ef44d92-d466-49e4-8896-fc4005fe41ca Environmental → Air → Indoor EF 3.1 kg 4
d68f57a1-27a9-4660-a525-de939955a1e1 Environmental → Air → Long-term EF 3.1 kg 0
3d6986c7-bfff-4d30-9863-a49ac4b440db Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
5f419b0b-c3dc-4260-a817-e8d97caf1ab1 Environmental → Air → Unknown EF 3.1 kg 4
2b9b06ea-0423-4c6a-899c-a26f505062a0 Environmental → Ground → Agricultural EF 3.1 kg 4
44f2ac0c-974f-4793-adb0-54b554a05fda Environmental → Ground → Non-agricultural EF 3.1 kg 4
47b66730-094d-4524-a165-5ac417ed8472 Environmental → Ground → Unknown EF 3.1 kg 4
76c193d2-c556-4156-ac2e-862487f99806 Environmental → Water → Long-term EF 3.1 kg 0
34461ba6-dc33-49fe-94c6-a716752dc173 Environmental → Water → Ocean EF 3.1 kg 4
8625780d-8c4e-4866-a39f-1fd85b5026ea Environmental → Water → Surface water EF 3.1 kg 4
b26eead8-86a4-45fd-bb4f-cfd9647e3681 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-783290040752d1b0",
  "prefLabel": [
    {
      "@value": "Nickel(2+) Bis(2-ethylhexanoate)",
      "@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": "Hexanoic acid, 2-ethyl-, nickel(2+) salt",
      "@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=4454-16-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexanoic acid, 2-ethyl-, nickel(2+) salt (2:1)",
      "@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=4454-16-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nickel (II) ethylhexanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=4454-16-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nickel 2-ethylhexanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nickel 2-ethylhexoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Nickel bis(2-ethylhexanoate)",
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        ],
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      }
    },
    {
      "@value": "Nickel isooctanoate",
      "@language": "en",
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      }
    },
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      }
    },
    {
      "@value": "NUSA Ni",
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  ],
  "properties": {
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/2C8H16O2.Ni/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2"
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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      },
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  "references": [
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}

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