Brightway Flows 1.0
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Calcium acetate

fo-f96eabb326449684

Identity

Type
Chemical salt
CAS
62-54-4
EC
200-540-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Calcium acetate

Alternative labels

20

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VSGNNIFQASZAOI-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
IUPAC name chemrof:IUPAC_name Calcium acetate
Molecular formula chemrof:molecular_formula 2C2H3O2.Ca, C4H6CaO4
Molecular mass chemrof:molecular_mass 158.166
Monoisotopic mass chemrof:monoisotopic_mass 157.9892
SMILES string chemrof:smiles_string CC(=O)[O-].CC(=O)[O-].[Ca+2]

Known URLs

23

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
beilstein beilstein:3692527 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=62-54-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3310 enrich_references.chebi_id_link
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1092 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0020234 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00258 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00258 enrich_references.pubchem_identifier_url
drugcentral.org https://drugcentral.org/drugcard/4287 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1200800 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/calcium-acetate enrich_references.pubchem_identifier_url
gmelin gmelin:22320 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Y882YXF34X enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0303554 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.823B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D00931 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D00931 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47429 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA164746897 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1200800 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6116 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/214342 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q409251 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Calcium_acetate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1234c144-43e3-46f0-87ce-57ab325e89cf Environmental → Air → Aircraft cruise height EF 3.1 kg 0
67aba325-b499-412e-9c66-3c3e0c0dc768 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
0051493a-1a45-41e8-b721-d8994fa1cb26 Environmental → Air → Indoor EF 3.1 kg 0
a451ead0-72f6-4828-aead-10547d2f22bd Environmental → Air → Long-term EF 3.1 kg 0
9bb3ece9-49ae-4cb0-b438-122e94e4c80b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
7fc49442-e1b7-463e-87fc-7483411c3258 Environmental → Air → Unknown EF 3.1 kg 0
d0eb5d29-1d99-43b7-9254-9aa27ff5598f Environmental → Ground → Agricultural EF 3.1 kg 0
8fb7fe85-a070-4abb-a5f3-a3cf54d07e91 Environmental → Ground → Non-agricultural EF 3.1 kg 0
c72432e9-c269-4196-b227-3e08fdef3fe7 Environmental → Ground → Unknown EF 3.1 kg 0
bb80c4d9-60dc-4032-af8b-77356bddeb13 Environmental → Water → Long-term EF 3.1 kg 0
40ace71f-20aa-48c5-a3fb-b02bad746c4a Environmental → Water → Ocean EF 3.1 kg 0
bf9d34cf-8396-431b-a9b6-e5cc30bbfd83 Environmental → Water → Surface water EF 3.1 kg 0
5f696876-347c-480e-a4b6-73e9dab0d581 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-f96eabb326449684",
  "prefLabel": [
    {
      "@value": "Calcium acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "CAS:62-54-4",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "acetate of lime",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Acetic acid, calcium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetic acid, calcium salt (2:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Brown acetate",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "brown acetate of lime",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Ca(OAc)2",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Calcium Di(acetate)",
      "@language": "en",
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "calcium diacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "calcium ethanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "calcium(II) acetate",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Gray acetate",
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        ],
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      }
    },
    {
      "@value": "gray acetate of lime",
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      }
    },
    {
      "@value": "lime acetate",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "lime pyrolignite",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Phosex",
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      }
    },
    {
      "@value": "PhosLo",
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    },
    {
      "@value": "Royen",
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        ],
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      }
    },
    {
      "@value": "Sanopan",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sorbo-Calcion",
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        ],
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      }
    },
    {
      "@value": "Teltozan",
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  ],
  "properties": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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