Diethylene Glycol Dinitrate

Substance: fo-9d44eb5cc9254294 Neutral molecule
Source: stepwise algorithm addition
Unit: kg
Context: Environmental → Water → Unconfined aquifer
CAS: 693-21-0
EC: 211-745-8

Dimension: Environmental
Media: Water
Water body: Unconfined aquifer

2,2′-Oxydiethanol dinitrate
2-(2-Nitrooxyethoxy)ethyl Nitrate
DEGDN
DEGN
Diethylene glycol, dinitrate
Diglycol dinitrate
Dinitrodiglycol
Ethanol, 2,2′-oxybis-, 1,1′-dinitrate
Ethanol, 2,2′-oxybis-, dinitrate
Oxydiethylene nitrate

List	Version	Source flow	Name there	Why this flow
stepwise	2006-1.09	60f0fe96-69d2-50f6-8d9e-248d349e48f3	Diethylene glycol dinitrate	The CAS numbers are the same (693-21-0); no flow of this substance sat in that compartment, so this one was created for the row.

Source list	Source flow	Name there	Compartment there	Match	Conversion
stepwise 2006-1.09	60f0fe96-69d2-50f6-8d9e-248d349e48f3	Diethylene Glycol Dinitrate	Water / groundwater	exactMatch	—

consensus-flow-list 2
2.-0 LCA consultants 2

Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.

Method	Implementation	Category	Place	Factor	Published as
Stepwise 2006	2.-0 LCA consultants	Ecotoxicity, aquatic	—	0.081058	—
Stepwise 2006	consensus-flow-list	Ecotoxicity, aquatic	—	0.081058	sole
Stepwise 2006	2.-0 LCA consultants	Ecotoxicity, terrestrial	—	1.2800e-06	—
Stepwise 2006	consensus-flow-list	Ecotoxicity, terrestrial	—	1.2800e-06	sole

This flow in the difference report

The change log and the PROV-O trail (0 consensus changes)

Open the changes page

These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.

Flow JSON

{
  "altLabel": [
    {
      "@value": "2,2′-Oxydiethanol dinitrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:693-21-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=693-21-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(2-Nitrooxyethoxy)ethyl Nitrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:693-21-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=693-21-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DEGDN",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:693-21-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=693-21-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DEGN",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:693-21-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=693-21-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethylene glycol, dinitrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:693-21-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=693-21-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diglycol dinitrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:693-21-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=693-21-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dinitrodiglycol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:693-21-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=693-21-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2,2′-oxybis-, 1,1′-dinitrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:693-21-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=693-21-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2,2′-oxybis-, dinitrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:693-21-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=693-21-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Oxydiethylene nitrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:693-21-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=693-21-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C4H8N2O7"
      ],
      "attested_by": {
        "C4H8N2O7": [
          "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:61198"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(CO[N+](=O)[O-])OCCO[N+](=O)[O-]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "LYAGTVMJGHTIDH-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "LYAGTVMJGHTIDH-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:61198"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(CO[N+](=O)[O-])OCCO[N+](=O)[O-]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C(CO[N+](=O)[O-])OCCO[N+](=O)[O-]"
      ],
      "attested_by": {
        "C(CO[N+](=O)[O-])OCCO[N+](=O)[O-]": [
          "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:61198"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(CO[N+](=O)[O-])OCCO[N+](=O)[O-]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C4H8N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2"
      ],
      "attested_by": {
        "InChI=1S/C4H8N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2": [
          "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:61198"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(CO[N+](=O)[O-])OCCO[N+](=O)[O-]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-(2-nitrooxyethoxy)ethyl nitrate",
        "nitric acid 2-(2-nitrooxyethoxy)ethyl ester"
      ],
      "attested_by": {
        "2-(2-nitrooxyethoxy)ethyl nitrate": [
          "enrich_references.pubchem_semantic"
        ],
        "nitric acid 2-(2-nitrooxyethoxy)ethyl ester": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61198"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        196.115
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(CO[N+](=O)[O-])OCCO[N+](=O)[O-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(CO[N+](=O)[O-])OCCO[N+](=O)[O-]"
          ]
        }
      ],
      "attested_by": {
        "196.115": [
          "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": [
        196.033151
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(CO[N+](=O)[O-])OCCO[N+](=O)[O-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(CO[N+](=O)[O-])OCCO[N+](=O)[O-]"
          ]
        }
      ],
      "attested_by": {
        "196.033151": [
          "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=J6.934E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61198;CAS:693-21-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[693-21-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.010.679",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61198;CAS:693-21-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[693-21-0]"
      }
    },
    {
      "@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1473",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61198;CAS:693-21-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[693-21-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=693-21-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "693-21-0"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID1024047",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61198;CAS:693-21-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[693-21-0]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Diethylene_glycol_dinitrate",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61198;CAS:693-21-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[693-21-0]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/77W50O99G1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61198;CAS:693-21-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[693-21-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/61198",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61198;CAS:693-21-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[693-21-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#0075",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61198;CAS:693-21-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[693-21-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q5275149",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:61198;CAS:693-21-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[693-21-0]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Diethylene Glycol Dinitrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "5f1ad6f26ad972d9f428429f0c4628d3f3fb1bf6",
  "identifier": "",
  "name": "Diethylene Glycol Dinitrate",
  "source": "stepwise algorithm addition",
  "cas_numbers": [
    "693-21-0"
  ],
  "ec_numbers": [
    "211-745-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unconfined aquifer"
  },
  "synonyms": [],
  "lcia_methods": [],
  "unit": "kg",
  "input_datasets": [],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unaq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-9d44eb5cc9254294",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/stepwise/2006-1.09/flow/60f0fe96-69d2-50f6-8d9e-248d349e48f3",
        "skos:prefLabel": "Diethylene Glycol Dinitrate",
        "context": "Water / groundwater",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/5f1ad6f26ad972d9f428429f0c4628d3f3fb1bf6"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/5f1ad6f26ad972d9f428429f0c4628d3f3fb1bf6"
      },
      "provenance": {
        "prov:wasGeneratedBy": "merge_stepwise",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "stepwise:2006-1.09:60f0fe96-69d2-50f6-8d9e-248d349e48f3",
          "Diethylene Glycol Dinitrate",
          "",
          "algorithm.lookup_order=cas>ec>label",
          "algorithm.basis=cas:693-21-0",
          "algorithm.flow_object_candidates=1",
          "algorithm.elementary_candidates=13",
          "algorithm.selector_reason=new-elementary-flow-created",
          "algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto",
          "algorithm.winning_score=3",
          "algorithm.tie_on_top_score=true"
        ],
        "prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:693-21-0);flow_object_candidates(1);elementary_candidates(13);selector(new-elementary-flow-created);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
      }
    }
  ],
  "_sources": {},
  "cas_match_labels": {},
  "general_comment": "",
  "_transformed": false,
  "_provided": {
    "name": null,
    "synonyms": [],
    "context": [],
    "cas_numbers": [],
    "ec_numbers": [],
    "unit": null
  },
  "elementary_flow_id": "5f1ad6f26ad972d9f428429f0c4628d3f3fb1bf6"
}

A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.

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

Diethylene Glycol Dinitrate

Identity

Context

Alternative labels

Source lists

Concept associations

Characterisation factors

History

Full record

Something wrong here?

Keyboard