Consensus flow list

Identity

Type
Neutral molecule
CAS
54889-63-3
EC
700-868-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Reaction Mass Of Cis-cyclohexane, 1,4-bis(ethoxymethyl) And Trans-cyclohexane, 1,4-bis(ethoxymethyl)

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DEROEFJZVPSIAO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H24O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h11-12H,3-10H2,1-2H3
IUPAC name chemrof:IUPAC_name 1,4-Bis(ethoxymethyl)cyclohexane
Molecular formula chemrof:molecular_formula C12H24O2
Molecular mass chemrof:molecular_mass 200.322
Monoisotopic mass chemrof:monoisotopic_mass 200.17763
SMILES string chemrof:smiles_string CCOCC1CCC(COCC)CC1

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=54889-63-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.224.988 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID001036315 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID201336018 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID501336017 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J99.612B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/565573 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126601325 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
385d82f5-3d58-4b51-99ac-a8cdda9a02c4 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c37397bf-023e-4091-af9e-40875b27e15d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3df93f9e-225a-478c-8621-ec1f66acc8c7 Environmental → Air → Indoor EF 3.1 kg 2
36fb1d72-58c1-4df0-a603-1fbc909368d9 Environmental → Air → Long-term EF 3.1 kg 0
c7bade9d-c691-46dc-a41d-6a226d48e156 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c366908f-fcd3-45d7-a9f8-dbbc1009b144 Environmental → Air → Unknown EF 3.1 kg 2
c112daf6-4504-4131-92b6-b11faadc7679 Environmental → Ground → Agricultural EF 3.1 kg 2
9e7c0447-d5d0-4457-86c9-ec049689a7eb Environmental → Ground → Non-agricultural EF 3.1 kg 2
adeb2856-e791-4e7b-af74-bef3782162a5 Environmental → Ground → Unknown EF 3.1 kg 2
537a7d88-f315-4849-8f6e-ab2f4c7ddbab Environmental → Water → Long-term EF 3.1 kg 0
c1cd955c-c08b-4345-9868-3bd2465508b0 Environmental → Water → Ocean EF 3.1 kg 2
c6e03a92-ed9c-4b48-b49f-b29678ea723d Environmental → Water → Surface water EF 3.1 kg 2
85c2a6bd-672c-46fc-9f68-38dbecabd491 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-36adfb93c8808b55",
  "prefLabel": [
    {
      "@value": "Reaction Mass Of Cis-cyclohexane, 1,4-bis(ethoxymethyl) And Trans-cyclohexane, 1,4-bis(ethoxymethyl)",
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      "@lang": "en",
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    }
  ],
  "altLabel": [
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexane, 1,4-bis(ethoxymethyl)-",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "attested_by": {
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  },
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}

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