Consensus flow list

Identity

Type
Chemical salt
CAS
3159-62-4
EC
221-605-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Calcium Bis(12-hydroxyoctadecanoate)

Alternative labels

17

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RXPKHKBYUIHIGL-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2C18H36O3.Ca/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);/q;;+2/p-2
IUPAC name chemrof:IUPAC_name Calcium Bis(12-hydroxyoctadecanoate)
Molecular formula chemrof:molecular_formula C36H70CaO6
Molecular mass chemrof:molecular_mass 340.561, 639.028
Monoisotopic mass chemrof:monoisotopic_mass 340.229036, 638.479831
SMILES string chemrof:smiles_string CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=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=3159-62-4 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87077056 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
0d508d68-4b1f-4168-9090-e4426d3ae170 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
42804d6d-0de7-4c81-bb77-2ebfeacde57d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
59a5e627-9a43-4be0-a404-e4694b110f87 Environmental → Air → Indoor EF 3.1 kg 2
91e94129-ef23-4c50-8960-01f9f91f0556 Environmental → Air → Long-term EF 3.1 kg 0
cc24d4e1-814b-4c90-b45f-c0a5bed22d72 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
96dbef71-46bd-46c4-80fd-ed347a2b09fa Environmental → Air → Unknown EF 3.1 kg 2
6cd3efe5-bdfa-4460-b803-b385cde287cb Environmental → Ground → Agricultural EF 3.1 kg 2
14acb83a-d08e-4e7d-bc70-20a007ccb8fb Environmental → Ground → Non-agricultural EF 3.1 kg 2
3adba6c9-f6e4-4ecf-8125-e546382e7280 Environmental → Ground → Unknown EF 3.1 kg 2
eddc54b6-4f85-486e-9cee-7db9f9d92637 Environmental → Water → Long-term EF 3.1 kg 0
f2bedc0f-e7d7-48e3-b00e-b615a4e869af Environmental → Water → Ocean EF 3.1 kg 2
50f879c6-bd59-411b-a365-002f2f47877b Environmental → Water → Surface water EF 3.1 kg 2
8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-4851fcb8a197a29a",
  "prefLabel": [
    {
      "@value": "Calcium Bis(12-hydroxyoctadecanoate)",
      "@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": "12-Hydroxyoctadecanoic acid calcium salt (2:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3159-62-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3159-62-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "12-Hydroxystearic acid calcium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3159-62-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3159-62-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Advastab CS 6",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3159-62-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3159-62-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calcium 12-hydroxyoctadecanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:3159-62-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3159-62-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calcium 12-hydroxystearate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3159-62-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calcium bis(12-hydroxystearate)",
      "@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=3159-62-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calcium di-12-hydroxystearate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calcium hydroxystearate",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "CS 6CP",
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        ],
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      }
    },
    {
      "@value": "Daiwax OHC",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "LIGA",
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      "provenance": {
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      }
    },
    {
      "@value": "Ligastar CA 12 OXY",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "NF 12Ca",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Octadecanoic acid, 12-hydroxy-, calcium salt (2:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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      }
    },
    {
      "@value": "Ricsoap SC",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "SC 12OH",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "SCI-HCS",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C36H70CaO6"
      ],
      "attested_by": {
        "C36H70CaO6": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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        },
        {
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          "prov:hadPrimarySource": [
            "CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].[Ca+2]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "RXPKHKBYUIHIGL-UHFFFAOYSA-L"
      ],
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      },
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      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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        "CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].[Ca+2]"
      ],
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        },
        {
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        }
      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      ],
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}

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