Consensus flow list

Identity

Type
NeutralMolecule
CAS
297730-93-9
EC
435-790-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3-ethoxy-1,1,1,2,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)-hexane

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HHBBIOLEJRWIGU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H5F15O/c1-2-25-6(15,3(10,7(16,17)18)8(19,20)21)4(11,12)5(13,14)9(22,23)24/h2H2,1H3
IUPAC name chemrof:IUPAC_name 3-ethoxy-1,1,1,2,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)-hexane
Molecular formula chemrof:molecular_formula C9H5F15O
Molecular mass chemrof:molecular_mass 414.108
Monoisotopic mass chemrof:monoisotopic_mass 414.010088
SMILES string chemrof:smiles_string CCOC(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F

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=297730-93-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.103.397 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.109.800 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90870315 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9CHD818V8Z enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.645.470B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2782436 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27272356 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1bea252d-d9c5-441a-8c00-37e36c866ead Environmental → Air → Aircraft cruise height EF 3.1 kg 6
1e5bbbb0-7b59-4f15-876d-efb55f1bc9dc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
40dda826-7e9a-466e-8db2-f1ff20b43aaf Environmental → Air → Indoor EF 3.1 kg 6
6b26fcec-c31f-4223-b98d-a2ce8ee954c0 Environmental → Air → Long-term EF 3.1 kg 2
76c665ac-cd20-4961-8aa6-16589f985a9b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
c04dbdbe-ecaf-4942-a927-799a098ef13d Environmental → Air → Unknown EF 3.1 kg 6
93c66c50-a158-4038-8c08-da3db0403606 Environmental → Ground → Agricultural EF 3.1 kg 4
44440d84-1742-4455-b597-caf82aa8bae0 Environmental → Ground → Non-agricultural EF 3.1 kg 4
dbd0cc1f-fa53-46a4-800a-69bb25c38250 Environmental → Ground → Unknown EF 3.1 kg 4
236f32c6-788b-4a4c-8944-f391347ae06b Environmental → Water → Long-term EF 3.1 kg 0
7f863890-53f3-49c4-902b-ccc5e3365caf Environmental → Water → Ocean EF 3.1 kg 4
a8f54544-3987-4684-8b2b-611ebad9b007 Environmental → Water → Surface water EF 3.1 kg 4
23978e55-4ba7-4a0e-a8fa-e515c9255794 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-455570e3d3972ea3",
  "prefLabel": [
    {
      "@value": "3-ethoxy-1,1,1,2,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)-hexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Trifluoromethyl-3-ethoxydodeca-fluorohexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Ethoxy-1,1,1,2,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Ethoxyperfluoro(2-methylhexane)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Fluo-Oil 7500",
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      }
    },
    {
      "@value": "Hexane, 3-ethoxy-1,1,1,2,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)-",
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    {
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}

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