Consensus flow list

Identity

Type
Neutral molecule
CAS
25322-69-4
EC
500-039-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Propane-1,2-diol, Propoxylated

Alternative labels

149

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DUFKCOQISQKSAV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H14O3/c1-5(8)4-9-6(2)3-7/h5-8H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-(2-hydroxypropoxy)-1-propanol, 2-(2-hydroxypropoxy)propan-1-ol, 2-(2-oxidanylpropoxy)propan-1-ol
Molecular formula chemrof:molecular_formula (C3H6O)n.C3H8O2, C6H14O3
Molecular mass chemrof:molecular_mass 134.175
Monoisotopic mass chemrof:monoisotopic_mass 134.09429, 134.094294
SMILES string chemrof:smiles_string CC(O)COC(C)CO

Known URLs

12

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
beilstein beilstein:8758571 enrich_references.chebi_xrefs
beilstein beilstein:8758942 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25322-69-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53262 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.107 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30861722 enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G55393QM enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WNY0H4G53Q enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0032478 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J101.144H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/32881 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q26863457 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ac1f73da-9492-41ea-bc19-7f19201ce579 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a1067008-de47-46f7-9589-9130d65716f5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f719f62d-79f8-4c40-b368-7f082167f2c2 Environmental → Air → Indoor EF 3.1 kg 4
47ff5072-20c6-4add-8a9c-2483973a9be3 Environmental → Air → Long-term EF 3.1 kg 0
9a489e96-ba5b-4de4-93fc-13116317c2d7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b7db05d2-a720-4903-91d1-1a5ee9895363 Environmental → Air → Unknown EF 3.1 kg 4
e95cc6af-edee-46e1-a8ca-b59894ef6b69 Environmental → Ground → Agricultural EF 3.1 kg 4
2bd43336-a16c-46b3-b214-b47c27523f10 Environmental → Ground → Non-agricultural EF 3.1 kg 4
45afa5a8-dc11-48ea-ad61-85ab1c0c539a Environmental → Ground → Unknown EF 3.1 kg 4
8af09c5c-ddd6-453e-b7c4-ccf5e673c4d5 Environmental → Water → Long-term EF 3.1 kg 0
90f81e36-c0a1-4d48-8d45-5481758e618f Environmental → Water → Ocean EF 3.1 kg 4
2dae544d-15c4-4b0a-b681-6126f8d30c14 Environmental → Water → Surface water EF 3.1 kg 4
5184dde9-4b6f-4c21-83fa-d3756c519317 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-6ee1e649ed40a0cc",
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  "altLabel": [
    {
      "@value": "1,2-Epoxypropane polymer",
      "@language": "en",
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    {
      "@value": "1,2-Propanediol, homopolymer",
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      "@value": "alpha-Hydro-omega-hydroxypoly(oxypropylene)",
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      "@value": "Carpol PGP 2000",
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      "@value": "Dielectrol VI",
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    {
      "@value": "Dihydroxypolyoxypropylene glycol",
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      "@value": "DK Polyol D 400",
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      "@value": "Dow LM 1000",
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      "@value": "Dowfax DF 106",
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    {
      "@value": "Emkapyl",
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      "@value": "Excenol EL 1020",
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    {
      "@value": "Flotanol C 07",
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      "@value": "Flotanol C 7",
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        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "500-039-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=500-039-8"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A macromolecule composed of repeating propyleneoxy units.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_53262"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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