Consensus flow list

Identity

Type
Neutral molecule
CAS
5370-08-1
EC
900-110-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Reaction Mass Of [trans-1,1,4,4-tetramethoxy-2-butene + Cis-1,1,4,4-tetramethoxy-2-butene]

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZFGVCDSFRAMNMT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16O4/c1-9-7(10-2)5-6-8(11-3)12-4/h5-8H,1-4H3
IUPAC name chemrof:IUPAC_name 1,1,4,4-Tetramethoxy-2-butene
Molecular formula chemrof:molecular_formula C8H16O4
Molecular mass chemrof:molecular_mass 176.212
Monoisotopic mass chemrof:monoisotopic_mass 176.104859
SMILES string chemrof:smiles_string COC(C=CC(OC)OC)OC

Known URLs

3

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=5370-08-1 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID901019407 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/289558 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
b64add7b-de0a-4364-a9a3-7065d72ef91c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
433da868-5423-49e6-bedf-bd4e8a3dcebf Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d8770d19-fb3e-464a-9cd5-7abde18d3a53 Environmental → Air → Indoor EF 3.1 kg 2
3ae061da-1277-41d4-bbbc-380acb923098 Environmental → Air → Long-term EF 3.1 kg 0
2917843f-a3ec-47d9-a0db-ab683b8f72f3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0a925a7b-b70f-43ac-99cb-ccf033d14a06 Environmental → Air → Unknown EF 3.1 kg 2
2dad190e-8aac-49a0-9ac5-86a6702c0bb3 Environmental → Ground → Agricultural EF 3.1 kg 2
6e16dd0a-7cc2-455a-ad94-10425235cf5d Environmental → Ground → Non-agricultural EF 3.1 kg 2
aabb9658-50f6-4486-bf5c-f56c7fb17006 Environmental → Ground → Unknown EF 3.1 kg 2
9714cf84-232f-42e2-a787-d0ccbec37f07 Environmental → Water → Long-term EF 3.1 kg 0
218ccded-943c-45eb-84b7-ee2919395281 Environmental → Water → Ocean EF 3.1 kg 2
3fc4affb-2f58-4ee9-9d87-d931d263f55e Environmental → Water → Surface water EF 3.1 kg 2
755a4364-c24e-457e-ac84-2cb803b346b9 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-0974c8e785bc5856",
  "prefLabel": [
    {
      "@value": "Reaction Mass Of [trans-1,1,4,4-tetramethoxy-2-butene + Cis-1,1,4,4-tetramethoxy-2-butene]",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1,4,4-Tetramethoxy-2-butene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Butene, 1,1,4,4-tetramethoxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butenedial, bis(dimethyl acetal)",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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        ]
      },
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    },
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      "rdfs:label": "SMILES",
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      "provenance": [
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        },
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      "rdfs:label": "InChI",
      "@value": [
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      "provenance": [
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      ],
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      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
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      ],
      "attested_by": {
        "176.212": [
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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",
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      ],
      "provenance": [
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      ],
      "attested_by": {
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          "rdkit_post_consensus",
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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      "provenance": {
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  "created_from": {
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    "seed_uuid": "0a925a7b-b70f-43ac-99cb-ccf033d14a06",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      "provenance": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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