Consensus flow list

Identity

Type
NeutralMolecule
CAS
104-66-5
EC
203-224-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,1'-[ethane-1,2-diylbis(oxy)]dibenzene /n/n

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XCSGHNKDXGYELG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2
IUPAC name chemrof:IUPAC_name (2-Phenoxyethoxy)benzene
Molecular formula chemrof:molecular_formula C14H14O2
Molecular mass chemrof:molecular_mass 214.264
Monoisotopic mass chemrof:monoisotopic_mass 214.09938
SMILES string chemrof:smiles_string c1ccc(OCCOc2ccccc2)cc1

Known URLs

11

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=104-66-5 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25852-90-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.932 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5026706 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6794 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1901367 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V9W31HX4AW enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.033D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7713 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017871 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q3596743 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
38607854-f24f-4c9b-87dc-3cbbed9c6499 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
f8ef7b5c-5b24-4da3-a7d7-c00e42abf521 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
07ed3aa9-aa30-42a9-b65a-dc39165be62f Environmental → Air → Indoor EF 3.1 kg 4
ddff8c25-ba95-4b68-8bb9-573b1d14059e Environmental → Air → Long-term EF 3.1 kg 0
08da752b-e7e2-4e7e-b051-9e0257c0cf8d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
592a486c-ffd2-4063-9949-b2afd3ab4af7 Environmental → Air → Unknown EF 3.1 kg 4
dfcd87f7-46af-42ac-9a62-f23353a5ae66 Environmental → Ground → Agricultural EF 3.1 kg 4
9ebfea67-d0f1-4867-b079-f172ec8b2d4e Environmental → Ground → Non-agricultural EF 3.1 kg 4
681a704a-401c-42ac-a05e-8ba1d90c9c72 Environmental → Ground → Unknown EF 3.1 kg 4
3d4c90fe-035d-427f-965d-d800ed51b5fa Environmental → Water → Long-term EF 3.1 kg 0
1ccacaf6-2b25-4a01-a78a-deb7dccd0687 Environmental → Water → Ocean EF 3.1 kg 4
981dd9b0-fbca-4864-ba2f-34ccda992480 Environmental → Water → Surface water EF 3.1 kg 4
4a3ea06d-78c9-4198-9521-1ade5988bc07 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-f123644c4fc37bfa",
  "prefLabel": [
    {
      "@value": "1,1'-[ethane-1,2-diylbis(oxy)]dibenzene /n/n",
      "@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": "(2-Phenoxyethoxy)benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:104-66-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=104-66-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1′-[1,2-Ethanediylbis(oxy)]bis[benzene]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:104-66-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=104-66-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Diphenoxyethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=104-66-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Phenoxyethoxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:104-66-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=104-66-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Phenoxyethyl phenyl ether",
      "@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=104-66-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1,1′-[1,2-ethanediylbis(oxy)]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=104-66-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethane, 1,2-diphenoxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethylene glycol diphenyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "@value": [
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      },
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  "references": [
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  "@type": [
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}

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