Consensus flow list

Tris[2-[2-(2-methoxyethoxy)ethoxy]ethyl] Orthoborate

fo-8111ac388698f80f

Identity

Type
NeutralMolecule
CAS
30989-05-0
EC
250-418-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Tris[2-[2-(2-methoxyethoxy)ethoxy]ethyl] Orthoborate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BYRJZJXBVKUYFH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H45BO12/c1-23-4-7-26-10-13-29-16-19-32-22(33-20-17-30-14-11-27-8-5-24-2)34-21-18-31-15-12-28-9-6-25-3/h4-21H2,1-3H3
IUPAC name chemrof:IUPAC_name tris[2-[2-(2-methoxyethoxy)ethoxy]ethyl] borate
Molecular formula chemrof:molecular_formula C21H45BO12
Molecular mass chemrof:molecular_mass 500.391
Monoisotopic mass chemrof:monoisotopic_mass 500.300407
SMILES string chemrof:smiles_string B(OCCOCCOCCOC)(OCCOCCOCCOC)OCCOCCOCCOC

Known URLs

6

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=30989-05-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.045.821 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40184974 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J287.421K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14402222 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q83055925 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
98c712d7-952a-4fa7-925e-c6d20464d629 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
f30b17ba-1400-4726-b1ed-d48dad1f7408 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1d7cf916-3562-478e-a3d0-63334044554e Environmental → Air → Indoor EF 3.1 kg 4
ba1fc473-16f4-43a6-9061-086d92cfc165 Environmental → Air → Long-term EF 3.1 kg 0
ab8de26a-7599-4104-9410-7e5a766f0788 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c965a039-6d3e-4737-b529-d77f96743843 Environmental → Air → Unknown EF 3.1 kg 4
13c7593b-9365-49a4-9f2e-d2eab2901d03 Environmental → Ground → Agricultural EF 3.1 kg 4
01bdd284-4914-475e-83af-509845e5250a Environmental → Ground → Non-agricultural EF 3.1 kg 4
50818d18-957c-4c91-865b-8ae5353ccede Environmental → Ground → Unknown EF 3.1 kg 4
617ec001-2ee1-49e7-b69e-6cd73d99c389 Environmental → Water → Long-term EF 3.1 kg 0
cb46adf3-d529-4f66-927c-a5eb38c7d489 Environmental → Water → Ocean EF 3.1 kg 4
3a3a330e-d1ca-4036-881b-e6ac34a50a38 Environmental → Water → Surface water EF 3.1 kg 4
80d881a7-e37d-4ed2-9f2f-ad85d6865d63 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-8111ac388698f80f",
  "prefLabel": [
    {
      "@value": "Tris[2-[2-(2-methoxyethoxy)ethoxy]ethyl] Orthoborate",
      "@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": "Ethanol, 2-[2-(2-methoxyethoxy)ethoxy]-, 1,1′,1′′-triester with boric acid (H3BO3)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30989-05-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30989-05-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2-[2-(2-methoxyethoxy)ethoxy]-, triester with boric acid (H3BO3)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30989-05-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30989-05-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Triethylene glycol monomethyl ether borate (3:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30989-05-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30989-05-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Triethylene glycol monomethyl ether orthoborate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30989-05-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30989-05-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trimethoxytriglycol orthoborate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30989-05-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30989-05-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C21H45BO12"
      ],
      "attested_by": {
        "C21H45BO12": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:14402222"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "B(OCCOCCOCCOC)(OCCOCCOCCOC)OCCOCCOCCOC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BYRJZJXBVKUYFH-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "BYRJZJXBVKUYFH-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:14402222"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "B(OCCOCCOCCOC)(OCCOCCOCCOC)OCCOCCOCCOC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "B(OCCOCCOCCOC)(OCCOCCOCCOC)OCCOCCOCCOC"
      ],
      "attested_by": {
        "B(OCCOCCOCCOC)(OCCOCCOCCOC)OCCOCCOCCOC": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:14402222"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "B(OCCOCCOCCOC)(OCCOCCOCCOC)OCCOCCOCCOC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C21H45BO12/c1-23-4-7-26-10-13-29-16-19-32-22(33-20-17-30-14-11-27-8-5-24-2)34-21-18-31-15-12-28-9-6-25-3/h4-21H2,1-3H3"
      ],
      "attested_by": {
        "InChI=1S/C21H45BO12/c1-23-4-7-26-10-13-29-16-19-32-22(33-20-17-30-14-11-27-8-5-24-2)34-21-18-31-15-12-28-9-6-25-3/h4-21H2,1-3H3": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:14402222"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "B(OCCOCCOCCOC)(OCCOCCOCCOC)OCCOCCOCCOC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "tris[2-[2-(2-methoxyethoxy)ethoxy]ethyl] borate"
      ],
      "attested_by": {
        "tris[2-[2-(2-methoxyethoxy)ethoxy]ethyl] borate": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14402222"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        500.391
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "B(OCCOCCOCCOC)(OCCOCCOCCOC)OCCOCCOCCOC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "B(OCCOCCOCCOC)(OCCOCCOCCOC)OCCOCCOCCOC"
          ]
        }
      ],
      "attested_by": {
        "500.391": [
          "rdkit_post_consensus",
          "rdkit_pre_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": [
        500.300407
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "B(OCCOCCOCCOC)(OCCOCCOCCOC)OCCOCCOCCOC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "B(OCCOCCOCCOC)(OCCOCCOCCOC)OCCOCCOCCOC"
          ]
        }
      ],
      "attested_by": {
        "500.300407": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J287.421K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14402222;CAS:30989-05-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[30989-05-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.045.821",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14402222;CAS:30989-05-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[30989-05-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=30989-05-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "30989-05-0"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID40184974",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14402222;CAS:30989-05-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[30989-05-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/14402222",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14402222;CAS:30989-05-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[30989-05-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q83055925",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14402222;CAS:30989-05-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[30989-05-0]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "01bdd284-4914-475e-83af-509845e5250a",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "30989-05-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=30989-05-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=30989-05-0"
        }
      ],
      "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": [
        "250-418-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=250-418-4"
      ],
      "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/NeutralMolecule"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.