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Barium Bis(2-ethylhexanoate)

fo-da365e4f1c9bcf90

Identity

Type
Chemical salt
CAS
2457-01-4
EC
219-535-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Barium Bis(2-ethylhexanoate)

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VJFFDDQGMMQGTQ-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2C8H16O2.Ba/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 Barium Bis(2-ethylhexanoate)
Molecular formula chemrof:molecular_formula C16H30BaO4
Molecular mass chemrof:molecular_mass 281.542, 423.74
Monoisotopic mass chemrof:monoisotopic_mass 282.020277, 424.119657
SMILES string chemrof:smiles_string CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ba+2]

Known URLs

2

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=2457-01-4 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16212318 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
46658b11-2e58-45aa-bddb-eeffc945f5d7 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
27e22598-9bc3-430c-96a2-2438c837b620 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0054bd4b-83a2-4e8a-b689-81fa725383c6 Environmental → Air → Indoor EF 3.1 kg 2
f1133804-04f5-4e0a-a3d5-8e99d567c280 Environmental → Air → Long-term EF 3.1 kg 0
f20ec842-4308-4720-96d0-9f1b229d1cee Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8 Environmental → Air → Unknown EF 3.1 kg 2
9df62000-b0d8-4282-ad83-7206ecda1b98 Environmental → Ground → Agricultural EF 3.1 kg 2
6d468d0b-5b63-48bf-a42d-7384be56d6c2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
1b77001a-821d-4ef7-ad09-0c0a975e89ba Environmental → Ground → Unknown EF 3.1 kg 2
d8babc4c-16af-49ae-9fdd-e7155aac16fc Environmental → Water → Long-term EF 3.1 kg 0
e3e28598-4bbf-47e8-b923-be7741ed56a7 Environmental → Water → Ocean EF 3.1 kg 2
24b2e58d-d8fb-45f5-8c42-a0e473ec31b5 Environmental → Water → Surface water EF 3.1 kg 2
a2177e5a-2474-4fd6-8596-d7e00784f86b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-da365e4f1c9bcf90",
  "prefLabel": [
    {
      "@value": "Barium 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": "2-Ethylhexanoic acid barium 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=2457-01-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Barium 2-ethylhexanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2457-01-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2457-01-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Barium di(2-ethylhexanoate)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Barium diethylhexanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Barium(II) 2-ethylhexanoate",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexanoic acid, 2-ethyl-, barium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Hexanoic acid, 2-ethyl-, barium salt (2:1)",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Nikka Octhix Ba 15%T",
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      }
    },
    {
      "@value": "Nikka Octhix Barium",
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      }
    }
  ],
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      "@value": [
        "C16H30BaO4"
      ],
      "attested_by": {
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        ]
      },
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        },
        {
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      ],
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      },
      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
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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",
      "@value": [
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      ],
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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
        "InChI=1S/2C8H16O2.Ba/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/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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        423.74
      ],
      "provenance": [
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        },
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        ]
      },
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
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      "provenance": [
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      ],
      "attested_by": {
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        "424.119657": [
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      },
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "Barium Bis(2-ethylhexanoate)": [
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    }
  },
  "references": [
    {
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      "provenance": {
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      }
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    {
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      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.by_cas[2457-01-4]"
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  ],
  "created_from": {
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    "seed_uuid": "0054bd4b-83a2-4e8a-b689-81fa725383c6",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
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      "provenance": {
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  },
  "classifications": {
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        "2457-01-4"
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      "rdfs:seeAlso": [
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        }
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      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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