Consensus flow list

Identity

Type
NeutralMolecule
CAS
14228-73-0
EC
238-098-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,4-bis[(2,3-epoxypropoxy)methyl]cyclohexane

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VQMQXWYQIIUJIT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H24O4/c1-2-12(6-16-8-14-10-18-14)4-3-11(1)5-15-7-13-9-17-13/h11-14H,1-10H2
IUPAC name chemrof:IUPAC_name 1,4-bis[(2,3-epoxypropoxy)methyl]cyclohexane
Molecular formula chemrof:molecular_formula C14H24O4
Molecular mass chemrof:molecular_mass 256.342
Monoisotopic mass chemrof:monoisotopic_mass 256.167459
SMILES string chemrof:smiles_string C1CC(COCC2CO2)CCC1COCC1CO1

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=14228-73-0 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=29357-35-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.034.620 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1044805 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184513 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.178.001D enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.178.002B enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J216.917G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/61718 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72445661 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,4-Cyclohexanedimethanol_diglycidyl_ether enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9c32592e-ca95-4c97-8de1-299b83c8c17a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0cca92ae-47cd-481c-a879-7fde5f8a6151 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a3464d3b-f500-401c-be62-3ec3a07a8512 Environmental → Air → Indoor EF 3.1 kg 4
7f97aa08-14eb-4961-b0eb-9e9c82fecba2 Environmental → Air → Long-term EF 3.1 kg 0
7ddd1315-8ae1-4ca9-a9e1-485b1b71b9f1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
345f3b20-d5d6-4bcd-8567-733149ac8e23 Environmental → Air → Unknown EF 3.1 kg 4
3dca71d3-6f76-4d74-bb9e-34811e2fead2 Environmental → Ground → Agricultural EF 3.1 kg 4
780e4ec2-6c8b-4ec3-a654-baf4f38d33a1 Environmental → Ground → Non-agricultural EF 3.1 kg 4
c8e047e4-f750-42c6-ac59-306ede7064bd Environmental → Ground → Unknown EF 3.1 kg 4
c6992f66-a7bb-4b0b-b26c-764e1ee20bf1 Environmental → Water → Long-term EF 3.1 kg 0
741755e4-7b03-42ba-b3e6-12450369d532 Environmental → Water → Ocean EF 3.1 kg 4
46c726b5-5194-47fb-8101-9045c2f2a753 Environmental → Water → Surface water EF 3.1 kg 4
f87b39d4-3d0e-45fd-a4de-d6fdd4c54f3c 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-aad986df7e17b474",
  "prefLabel": [
    {
      "@value": "1,4-bis[(2,3-epoxypropoxy)methyl]cyclohexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,4-Bis(glycidoxymethyl)cyclohexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Bis(hydroxymethyl)cyclohexane diglycidyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Bis[(glycidyloxy)methyl]cyclohexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Cyclohexanedimethanol diglycidyl ether",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-[1,4-Cyclohexanediylbis(methyleneoxymethylene)]bis[oxirane]",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Cyclohexane, 1,4-bis[(2,3-epoxypropoxy)methyl]-",
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    },
    {
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}

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