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4,4'-(oxy-(bismethylene))-bis-1,3-dioxolane

fo-d6a0d3cba02c81d1

Identity

Type
Neutral molecule
CAS
56552-15-9
EC
423-230-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 4,4'-(oxy-(bismethylene))-bis-1,3-dioxolane

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GBTVFZDADUZIIQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H14O5/c1(7-3-10-5-12-7)9-2-8-4-11-6-13-8/h7-8H,1-6H2
IUPAC name chemrof:IUPAC_name 4,4'-(oxy-(bismethylene))-bis-1,3-dioxolane
Molecular formula chemrof:molecular_formula C8H14O5
Molecular mass chemrof:molecular_mass 190.195
Monoisotopic mass chemrof:monoisotopic_mass 190.084124
SMILES string chemrof:smiles_string C1OCC(COCC2COCO2)O1

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=56552-15-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.102.179 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50886199 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.781.939E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/162155 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82864981 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
946ab399-c16f-4ae0-8aa4-ef852d996498 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
23be3723-7104-4d22-84be-7e6bd7e94b27 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4a865599-b396-45ff-8636-9845e2cc68eb Environmental → Air → Indoor EF 3.1 kg 2
6fa5ffac-3467-468b-abf8-c0eb9df82363 Environmental → Air → Long-term EF 3.1 kg 0
5e9b91f3-47b1-4fe7-900a-a7678d29c889 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
84b460d1-f326-43c7-9b75-025126010b98 Environmental → Air → Unknown EF 3.1 kg 2
e3f3cc99-01c4-4b5e-9058-d851e65f378b Environmental → Ground → Agricultural EF 3.1 kg 2
af90300c-4777-457e-8da1-6760a541a462 Environmental → Ground → Non-agricultural EF 3.1 kg 2
49722b8b-20bb-4b9e-9b59-b9cbad7f989d Environmental → Ground → Unknown EF 3.1 kg 2
e8e4b297-0217-4f24-b9fa-9ab2cc511ec6 Environmental → Water → Long-term EF 3.1 kg 0
c12c386d-ba33-4457-9191-bc9cca6f12f9 Environmental → Water → Ocean EF 3.1 kg 2
5188e92d-d9ff-4f5f-a22d-4cf8ec4741e7 Environmental → Water → Surface water EF 3.1 kg 2
36606e0a-0595-492a-b44f-f55f21d1e421 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-d6a0d3cba02c81d1",
  "prefLabel": [
    {
      "@value": "4,4'-(oxy-(bismethylene))-bis-1,3-dioxolane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Dioxolane, 4,4′-[oxybis(methylene)]bis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=56552-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-[Oxybis(methylene)]bis[1,3-dioxolane]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C8H14O5"
      ],
      "attested_by": {
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      },
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      "rdfs:label": "InChIKey",
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    },
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        },
        {
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      "rdfs:label": "InChI",
      "@value": [
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      "provenance": [
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        },
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          ]
        }
      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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        },
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        }
      ],
      "attested_by": {
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      },
      "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": [
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      ],
      "provenance": [
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          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
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        },
        {
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          "prov:hadPrimarySource": [
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        }
      ],
      "attested_by": {
        "190.084124": [
          "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=J3.781.939E",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56552-15-9]"
      }
    },
    {
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        "prov:wasDerivedFrom": "pubchem.by_cas[56552-15-9]"
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    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82864981",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
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        "prov:wasDerivedFrom": "pubchem.identifiers[56552-15-9]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "23be3723-7104-4d22-84be-7e6bd7e94b27",
    "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": [
        "56552-15-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=56552-15-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
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        }
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
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      "rdfs:seeAlso": [
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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