Consensus flow list

Identity

Type
NeutralMolecule
CAS
2568-90-3
EC
219-909-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,1'-[methylenebis(oxy)]dibutane

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QLCJOAMJPCOIDI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H20O2/c1-3-5-7-10-9-11-8-6-4-2/h3-9H2,1-2H3
IUPAC name chemrof:IUPAC_name 1,1'-[methylenebis(oxy)]dibutane
Molecular formula chemrof:molecular_formula C9H20O2
Molecular mass chemrof:molecular_mass 160.257
Monoisotopic mass chemrof:monoisotopic_mass 160.14633
SMILES string chemrof:smiles_string CCCCOCOCCCC

Known URLs

9

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=2568-90-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.018.100 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3062528 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=241 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V5WWR58LDU enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J112.977E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17379 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q26840922 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dibutoxymethane enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d82f0092-3d2d-468d-889d-5284947a0c0f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
272788b2-b4d2-48de-8625-6ac61ffc195f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c4d637bd-cb3a-4ab7-b923-178afbd200c2 Environmental → Air → Indoor EF 3.1 kg 2
64df952b-0e67-455e-9cea-2a6fcfeb400c Environmental → Air → Long-term EF 3.1 kg 0
8601ce95-a161-49bb-9cb5-0ebe3c1a9838 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c549654f-f1f1-4d0b-90f2-2c74fdaabf03 Environmental → Air → Unknown EF 3.1 kg 2
ef26e12e-fa2f-44ac-b66a-c012f4cda450 Environmental → Ground → Agricultural EF 3.1 kg 2
32c46a1a-8857-4178-9472-e08a0862a654 Environmental → Ground → Non-agricultural EF 3.1 kg 2
76650f75-8544-4205-a7c4-29b78c003454 Environmental → Ground → Unknown EF 3.1 kg 2
21991d81-0a47-473c-be9e-11a6abe18aba Environmental → Water → Long-term EF 3.1 kg 0
cc7a9f80-9442-4a31-a7ec-d5f50f85ad66 Environmental → Water → Ocean EF 3.1 kg 2
1132c7d2-5863-4077-827f-2a11976020e8 Environmental → Water → Surface water EF 3.1 kg 2
d3b82659-28ea-4614-8926-3bbf84f92b96 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f56bf611aeefae80",
  "prefLabel": [
    {
      "@value": "1,1'-[methylenebis(oxy)]dibutane",
      "@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": "1,1′-[Methylenebis(oxy)]bis[butane]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2568-90-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2568-90-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(Butoxymethoxy)butane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2568-90-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2568-90-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butane, 1,1′-[methylenebis(oxy)]bis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2568-90-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butylal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dibutoxymethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dibutyl formal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Formaldehyde dibutyl acetal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methane, dibutoxy-",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Solvon K 4",
      "@language": "en",
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      "provenance": {
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        ],
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  ],
  "properties": {
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        },
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    "https://w3id.org/chemrof/smiles_string": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      ],
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    "https://w3id.org/chemrof/IUPAC_name": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "attested_by": {
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      },
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  "@type": [
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}

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