Magnesium Diethanolate

Catylen S 300
Diethoxymagnesium
Ethanol, magnesium salt
Ethanol, magnesium salt (2:1)
Ethyl alcohol, magnesium salt
Magnesium diethoxide
Magnesium ethanoate
Magnesium ethanolate
Magnesium ethoxide
Magnesium ethoxide Mg(OC2H5)2
Magnesium ethylate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	XDKQUSKHRIUJEO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/2C2H5O.Mg/c21-2-3;/h22H2,1H3;/q2*-1;+2
IUPAC name chemrof:IUPAC_name	Magnesium Diethanolate
Molecular formula chemrof:molecular_formula	C4H10MgO2
Molecular mass chemrof:molecular_mass	114.427, 70.374
Monoisotopic mass chemrof:monoisotopic_mass	114.053121, 70.026907
SMILES string chemrof:smiles_string	CC[O-].CC[O-].[Mg+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=2414-98-4	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/45051805	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
1c2afe60-6735-4cf4-8709-6a3162744e6c	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
49256ede-c6f5-446f-a45d-be707884880e	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
0f2eab26-750e-4a0d-b844-8efd8ba3747f	Environmental → Air → Indoor	EF 3.1	kg	4
0ef4143b-87f8-4ef4-9339-c39475c1f74d	Environmental → Air → Long-term	EF 3.1	kg	0
523b91f3-64db-49cf-930f-19f63b4b448d	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
728f4653-2967-4afd-97f8-72b6db316aef	Environmental → Air → Unknown	EF 3.1	kg	4
71711274-e016-4fb9-bac1-222632202ae7	Environmental → Ground → Agricultural	EF 3.1	kg	4
db66a75e-7af3-4996-b7d1-3e5b82ea5c2d	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
3b75ecaa-d557-43be-8859-7a7a38e404fa	Environmental → Ground → Unknown	EF 3.1	kg	4
53800bd4-846e-43d6-b75b-c495b3916438	Environmental → Water → Long-term	EF 3.1	kg	0
249c8ddf-192c-4cc9-a8af-e5d249edb314	Environmental → Water → Ocean	EF 3.1	kg	4
bc244def-f2e5-4dd4-9c36-e903ff500765	Environmental → Water → Surface water	EF 3.1	kg	4
3fa27008-e5a6-4e8a-a406-3d6ea3e5e255	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-39d9576881f65219",
  "prefLabel": [
    {
      "@value": "Magnesium Diethanolate",
      "@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": "Catylen S 300",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2414-98-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2414-98-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethoxymagnesium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2414-98-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2414-98-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, magnesium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2414-98-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2414-98-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, magnesium salt (2:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2414-98-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2414-98-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl alcohol, magnesium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2414-98-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2414-98-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Magnesium diethoxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2414-98-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2414-98-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Magnesium ethanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2414-98-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2414-98-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Magnesium ethanolate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2414-98-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2414-98-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Magnesium ethoxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2414-98-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2414-98-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Magnesium ethoxide Mg(OC2H5)2",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2414-98-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2414-98-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Magnesium ethylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2414-98-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2414-98-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C4H10MgO2"
      ],
      "attested_by": {
        "C4H10MgO2": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:45051805"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC[O-].CC[O-].[Mg+2]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "XDKQUSKHRIUJEO-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "XDKQUSKHRIUJEO-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:45051805"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC[O-].CC[O-].[Mg+2]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC[O-].CC[O-].[Mg+2]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Magnesium Diethanolate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC[O-].CC[O-].[Mg+2]"
          ]
        }
      ],
      "attested_by": {
        "CC[O-].CC[O-].[Mg+2]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/2C2H5O.Mg/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Magnesium Diethanolate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC[O-].CC[O-].[Mg+2]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/2C2H5O.Mg/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        114.427,
        70.374
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCO.[Mg]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC[O-].CC[O-].[Mg+2]"
          ]
        }
      ],
      "attested_by": {
        "70.374": [
          "rdkit_pre_consensus"
        ],
        "114.427": [
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        114.053121,
        70.026907
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCO.[Mg]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC[O-].CC[O-].[Mg+2]"
          ]
        }
      ],
      "attested_by": {
        "70.026907": [
          "rdkit_pre_consensus"
        ],
        "114.053121": [
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Magnesium Diethanolate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Magnesium Diethanolate"
        ]
      },
      "attested_by": {
        "Magnesium Diethanolate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=2414-98-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:45051805;CAS:2414-98-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2414-98-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/45051805",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:45051805;CAS:2414-98-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[2414-98-4]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0ef4143b-87f8-4ef4-9339-c39475c1f74d",
    "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": [
        "2414-98-4"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=2414-98-4"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=2414-98-4"
        }
      ],
      "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": [
        "219-323-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=219-323-5"
      ],
      "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"
  ]
}

Magnesium Diethanolate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard