Consensus flow list

Identity

Type
Chemical salt
CAS
136-51-6
EC
205-249-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Calcium Bis(2-ethylhexanoate)

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LTPCXXMGKDQPAO-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2C8H16O2.Ca/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 Calcium Bis(2-ethylhexanoate)
Molecular formula chemrof:molecular_formula C16H30CaO4
Molecular mass chemrof:molecular_mass 184.292, 326.49
Monoisotopic mass chemrof:monoisotopic_mass 184.077621, 326.177
SMILES string chemrof:smiles_string CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+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=136-51-6 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16212325 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
c2b19842-b0c6-482b-bfab-49365a8f73a7 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
2c7afee3-edc8-4641-a874-78d3dafc5a36 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
99b10784-147f-4aaf-a10f-2e4031cf2016 Environmental → Air → Indoor EF 3.1 kg 4
09ad8f6d-bb29-447c-9a49-ac9afa8a1ef0 Environmental → Air → Long-term EF 3.1 kg 0
6d443354-a03b-4e8c-bfc1-1b75c5a937d4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a8304869-73a8-44b3-a05b-483c3668d598 Environmental → Air → Unknown EF 3.1 kg 4
efca7e30-e11e-43eb-9025-1e5bda3a1a2d Environmental → Ground → Agricultural EF 3.1 kg 4
49783764-4a6f-47af-bff6-3a5cedc59d4c Environmental → Ground → Non-agricultural EF 3.1 kg 4
6b6c3e7b-c6cb-4315-b76b-722a99eb0b45 Environmental → Ground → Unknown EF 3.1 kg 4
9b08d262-5663-474b-9d97-b1f9ad809ba7 Environmental → Water → Long-term EF 3.1 kg 0
2f73c464-b745-492d-a8d2-2c9f1d172c6d Environmental → Water → Ocean EF 3.1 kg 4
047d4058-b6c5-4cf8-9f66-f6fa4243c37c Environmental → Water → Surface water EF 3.1 kg 4
fc517276-054d-4988-8219-9e551ff2201a Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-25ad5bb09ce7ce0d",
  "prefLabel": [
    {
      "@value": "Calcium 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 calcium 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=136-51-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calcium 2-ethylhexanoate",
      "@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=136-51-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calcium 2-ethylhexoate",
      "@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": "Calcium bis(2-ethyl hexanoate)",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calcium Hex-Cem",
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      }
    },
    {
      "@value": "Hexanoic acid, 2-ethyl-, calcium salt",
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    },
    {
      "@value": "Hexanoic acid, 2-ethyl-, calcium salt (2:1)",
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        ],
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      }
    },
    {
      "@value": "Nikka Octhix Ca 5%T",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Nikka Octhix Calcium",
      "@language": "en",
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      }
    },
    {
      "@value": "NUSA Ca",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Octa-Soligen Calcium 7HS",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Octope Ca",
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        ],
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      }
    },
    {
      "@value": "Valirex Ca 5",
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      },
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        },
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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