Lithium 12-hydroxyoctadecanoate

12-Hydroxystearic acid lithium salt
Daiwax OHL
Ligastar LI 12 OXY
Lithium 12-hydroxystearate
Octadecanoic acid, 12-hydroxy-, lithium salt (1:1)
Octadecanoic acid, 12-hydroxy-, monolithium salt
OHL

Property	Value
InChI2D key string chemrof:inchi2d_key_string	FNMGNZIEIFTAPZ-UHFFFAOYSA-N, FPLIHVCWSXLMPX-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string	InChI=1S/C18H36O3.Li/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1
IUPAC name chemrof:IUPAC_name	Lithium 12-hydroxyoctadecanoate
Molecular formula chemrof:molecular_formula	C18H35LiO3, C18H36LiO3
SMILES string chemrof:smiles_string	CCCCCCC(O)CCCCCCCCCCC(=O)[O-].[Li+]

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=7620-77-1	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/57473796	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
4dac0293-016e-4e7d-b580-3880771fec1f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
ecac1b6d-3975-45d2-9e3f-0651be42e24a	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
001f1fc1-e941-44a5-83cc-3c82970fe9c9	Environmental → Air → Indoor	EF 3.1	kg	4
765c632b-d10a-4385-88aa-667628d5002b	Environmental → Air → Long-term	EF 3.1	kg	0
7982cfd7-0e10-4a37-960a-24bcc76008fa	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
6c8fad7e-de6d-4b0e-a518-796000c547e2	Environmental → Air → Unknown	EF 3.1	kg	4
bbb28ea3-9f7d-45e7-b247-cb1f560b2b6c	Environmental → Ground → Agricultural	EF 3.1	kg	4
818d7c69-6c61-4253-84b3-81f1636f2b46	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
e01ddae7-a561-4f06-9b74-0b07a0b6f3e3	Environmental → Ground → Unknown	EF 3.1	kg	4
afd0152d-2e41-4949-96f5-3febfc101646	Environmental → Water → Long-term	EF 3.1	kg	0
2b15a003-72f0-420d-92d7-f177b917762f	Environmental → Water → Ocean	EF 3.1	kg	4
d346d879-d630-4614-9b29-d57e18a5482e	Environmental → Water → Surface water	EF 3.1	kg	4
6d9b7a19-3e72-483a-a857-552d7809c9fe	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-41b8ed49ba804a29",
  "prefLabel": [
    {
      "@value": "Lithium 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-Hydroxystearic acid lithium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7620-77-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7620-77-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Daiwax OHL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7620-77-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7620-77-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ligastar LI 12 OXY",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7620-77-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7620-77-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lithium 12-hydroxystearate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7620-77-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7620-77-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Octadecanoic acid, 12-hydroxy-, lithium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7620-77-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7620-77-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Octadecanoic acid, 12-hydroxy-, monolithium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7620-77-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7620-77-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "OHL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7620-77-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7620-77-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C18H35LiO3",
        "C18H36LiO3"
      ],
      "attested_by": {
        "C18H36LiO3": [
          "enrich_references.pubchem_semantic"
        ],
        "C18H35LiO3": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:57473796"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCC(O)CCCCCCCCCCC(=O)[O-].[Li+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FNMGNZIEIFTAPZ-UHFFFAOYSA-N",
        "FPLIHVCWSXLMPX-UHFFFAOYSA-M"
      ],
      "attested_by": {
        "FNMGNZIEIFTAPZ-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "FPLIHVCWSXLMPX-UHFFFAOYSA-M": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:57473796"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCC(O)CCCCCCCCCCC(=O)[O-].[Li+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCC(O)CCCCCCCCCCC(=O)[O-].[Li+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Lithium 12-hydroxyoctadecanoate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCC(O)CCCCCCCCCCC(=O)[O-].[Li+]"
          ]
        }
      ],
      "attested_by": {
        "CCCCCCC(O)CCCCCCCCCCC(=O)[O-].[Li+]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C18H36O3.Li/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Lithium 12-hydroxyoctadecanoate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCC(O)CCCCCCCCCCC(=O)[O-].[Li+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C18H36O3.Li/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Lithium 12-hydroxyoctadecanoate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Lithium 12-hydroxyoctadecanoate"
        ]
      },
      "attested_by": {
        "Lithium 12-hydroxyoctadecanoate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=7620-77-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:57473796;CAS:7620-77-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7620-77-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/57473796",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:57473796;CAS:7620-77-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[7620-77-1]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "001f1fc1-e941-44a5-83cc-3c82970fe9c9",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/ChemicalSalt"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "7620-77-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=7620-77-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=7620-77-1"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "231-536-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=231-536-5"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Lithium 12-hydroxyoctadecanoate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard