Consensus flow list

Identity

Type
NeutralMolecule
CAS
120570-77-6
EC
601-722-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,2'-oxybis-ethanol Diformate

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JGJDTAFZUXGTQS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H10O5/c7-5-10-3-1-9-2-4-11-6-8/h5-6H,1-4H2
IUPAC name chemrof:IUPAC_name 2-(2-formyloxyethoxy)ethyl formate, 2-(2-methanoyloxyethoxy)ethyl methanoate, formic acid 2-(2-formyloxyethoxy)ethyl ester
Molecular formula chemrof:molecular_formula C6H10O5
Molecular mass chemrof:molecular_mass 162.141
Monoisotopic mass chemrof:monoisotopic_mass 162.052823
SMILES string chemrof:smiles_string C(COC=O)OCCOC=O

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=120570-77-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.122.989 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60888902 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=404481 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/346287 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72461883 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
be3a92de-5b29-47c0-ad61-a9fcda24c6ae Environmental → Air → Aircraft cruise height EF 3.1 kg 2
19346b07-1c21-49b0-a2af-71bb2fb84306 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
36b22aef-0717-4584-b764-134c79c0e242 Environmental → Air → Indoor EF 3.1 kg 2
23cd3e66-d703-4b44-8522-d927999214ea Environmental → Air → Long-term EF 3.1 kg 0
db2c58c5-747a-4bb7-835b-26ae7587f09f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0e67a844-ab6c-42c9-aa00-065aad5f3c18 Environmental → Air → Unknown EF 3.1 kg 2
47eab285-2d22-4ddf-94e9-09e3984e3b1f Environmental → Ground → Agricultural EF 3.1 kg 2
9b2c2581-8c9b-48ba-b709-d96bcefdfb61 Environmental → Ground → Non-agricultural EF 3.1 kg 2
428e3d7d-fc21-48aa-bf02-fd66e202656c Environmental → Ground → Unknown EF 3.1 kg 2
89f987f4-2c7a-4c7f-9f77-25b4b1b78ff9 Environmental → Water → Long-term EF 3.1 kg 0
3d49f5ae-7692-4f4f-bd6e-5c49be32891f Environmental → Water → Ocean EF 3.1 kg 2
d889f8b0-5947-469f-ac1f-acad5dde873b Environmental → Water → Surface water EF 3.1 kg 2
66e79dd2-5685-4c14-9320-6b28405f4a31 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-319370ea38ff5509",
  "prefLabel": [
    {
      "@value": "2,2'-oxybis-ethanol Diformate",
      "@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": "2-(2-Formyloxyethoxy)ethyl formate",
      "@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=120570-77-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethyleneglycol diformate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=120570-77-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2,2′-oxybis-, 1,1′-diformate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2,2′-oxybis-, diformate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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  "properties": {
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        "C6H10O5"
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-(2-formyloxyethoxy)ethyl formate",
        "2-(2-methanoyloxyethoxy)ethyl methanoate",
        "formic acid 2-(2-formyloxyethoxy)ethyl ester"
      ],
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    },
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      "@value": [
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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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      ],
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  "created_from": {
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    "seed_uuid": "0e67a844-ab6c-42c9-aa00-065aad5f3c18",
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}

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