Brightway Flows 1.0
GitHub

Barium Neodecanoate

fo-572e42b19b3a79a3

Identity

Type
Chemical salt
CAS
55172-98-0
EC
259-509-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Barium Neodecanoate

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CJLKLWVNWFVXOI-UHFFFAOYSA-L, QJFWQPOUERXNAS-UHFFFAOYSA-L, ROSHGJWNZDDJFF-UHFFFAOYSA-L, ZHJXIXXWMBEOSM-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2C10H20O2.Ba/c2*1-10(2,3)8-6-4-5-7-9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2
IUPAC name chemrof:IUPAC_name Barium Neodecanoate
Molecular formula chemrof:molecular_formula C20H38BaO4
SMILES string chemrof:smiles_string CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Ba+2]

Known URLs

12

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=55172-98-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.054.081 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.065.516 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10883189 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6V96R5G8MM enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J332.590C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/108681 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/111526 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14513574 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/73555865 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126677807 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q27265579 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a619e1f0-451f-4956-91ac-ba64642b9ba0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0ebf5de4-3db1-4221-a660-970da87daec9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8bc2cb38-7259-4418-b623-343ee4ea1de5 Environmental → Air → Indoor EF 3.1 kg 2
d9ae2bd5-ffa0-4024-83e1-b0e3e90f5eaf Environmental → Air → Long-term EF 3.1 kg 0
0cc20896-1c3c-4715-881b-022c71d4d4a3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3411a125-727c-4b7b-b644-b52954ef9a22 Environmental → Air → Unknown EF 3.1 kg 2
6fd4eb9b-c388-49a4-bb9e-37dd56ca5d31 Environmental → Ground → Agricultural EF 3.1 kg 2
1cd37173-3572-41e2-a748-0a9794c2371d Environmental → Ground → Non-agricultural EF 3.1 kg 2
3f79a1d3-b0b5-495c-a938-a2d33bb688b1 Environmental → Ground → Unknown EF 3.1 kg 2
d314ba51-38fa-415c-a948-01b3224009b8 Environmental → Water → Long-term EF 3.1 kg 0
488c7c34-fb2b-42e1-bcb0-749567d75260 Environmental → Water → Ocean EF 3.1 kg 2
6f56b895-c852-434e-9f88-1d62a62d5fef Environmental → Water → Surface water EF 3.1 kg 2
681ecc20-278d-42f0-8842-1541726922b0 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-572e42b19b3a79a3",
  "prefLabel": [
    {
      "@value": "Barium Neodecanoate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Neodecanoic acid, barium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Neodecanoic acid, barium salt (2:1)",
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      "provenance": {
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  "properties": {
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        "C20H38BaO4"
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      "provenance": [
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      "rdfs:label": "InChI",
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      "attested_by": {
        "InChI=1S/2C10H20O2.Ba/c2*1-10(2,3)8-6-4-5-7-9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2": [
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
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      },
      "attested_by": {
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        ]
      }
    }
  },
  "references": [
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  "created_from": {
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  "origin_qualifier": null,
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}

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