Consensus flow list

Identity

Type
NeutralMolecule
CAS
23235-61-2
EC
245-509-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2,2'-[oxybis(methylene)]bis(2-ethylpropane-1,3-diol)

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WMYINDVYGQKYMI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H26O5/c1-3-11(5-13,6-14)9-17-10-12(4-2,7-15)8-16/h13-16H,3-10H2,1-2H3
IUPAC name chemrof:IUPAC_name 2,2'-[oxybis(methylene)]bis(2-ethylpropane-1,3-diol)
Molecular formula chemrof:molecular_formula C12H26O5
Molecular mass chemrof:molecular_mass 250.335
Monoisotopic mass chemrof:monoisotopic_mass 250.178024
SMILES string chemrof:smiles_string CCC(CO)(CO)COCC(CC)(CO)CO

Known URLs

8

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=23235-61-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.041.357 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9044879 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188200 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/53E6MN32Z5 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.718E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/90038 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q22829780 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
15c29606-b8af-41be-b8fa-b60db4dda799 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
cdf3c575-6f80-428f-bb3f-504ddcfec731 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f5604ef2-e4b4-4f09-a7a5-9ca1afc589e4 Environmental → Air → Indoor EF 3.1 kg 4
bf4c6c95-56b1-4dfe-bdac-971a34904a46 Environmental → Air → Long-term EF 3.1 kg 0
8c79b439-89d5-4443-8144-cac2f9e42a34 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
056eb9b5-064e-4bac-bb83-2476f63bd194 Environmental → Air → Unknown EF 3.1 kg 4
1ff13473-3f5c-4e7d-a637-455d1a6016c2 Environmental → Ground → Agricultural EF 3.1 kg 4
e0641a7c-9bfa-47c4-80ee-2f020fe0c7f3 Environmental → Ground → Non-agricultural EF 3.1 kg 4
5396924a-7166-41b2-b024-eb1a452882b9 Environmental → Ground → Unknown EF 3.1 kg 4
e7050e8c-d2ea-4fe3-9cde-9f8ae0998214 Environmental → Water → Long-term EF 3.1 kg 0
34672d48-41af-44ff-8e78-dae43690ec43 Environmental → Water → Ocean EF 3.1 kg 4
d9225362-4c13-4384-9365-2d6ca8269ad8 Environmental → Water → Surface water EF 3.1 kg 4
faf9671d-b574-4061-9148-b60e06f37d67 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-5d8abd6dfc9e0b5a",
  "prefLabel": [
    {
      "@value": "2,2'-[oxybis(methylene)]bis(2-ethylpropane-1,3-diol)",
      "@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": "1,3-Propanediol, 2,2′-(oxydimethylene)bis[2-ethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Propanediol, 2,2′-[oxybis(methylene)]bis[2-ethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-Bis(dimethylol)dibutyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=23235-61-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-(Oxydimethylene)bis(2-ethyl-1,3-propanediol)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-[Oxybis(methylene)]bis[2-ethyl-1,3-propanediol]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "3,3,7,7-Tetrakis(hydroxymethyl)-5-oxanonane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Bis(1,1-dimethylolpropyl)dimethyl ether",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bistrimethylolpropane",
      "@language": "en",
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    },
    {
      "@value": "Di-TMP",
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    },
    {
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}

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