Consensus flow list

Identity

Type
Neutral molecule
CAS
87820-88-0
EC
618-075-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Tralkoxydim

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DQFPEYARZIQXRM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,22H,6-7,10-11H2,1-5H3
IUPAC name chemrof:IUPAC_name 2-Cyclohexen-1-one, 2-[1-(ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-
Molecular formula chemrof:molecular_formula C20H27NO3
Molecular mass chemrof:molecular_mass 329.44
Monoisotopic mass chemrof:monoisotopic_mass 329.199094
SMILES string chemrof:smiles_string CCON=C(CC)C1=C(O)CC(c2c(C)cc(C)cc2C)CC1=O

Known URLs

5

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=87820-88-0 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1034973 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2355904 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135474890 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q12401273 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
c2ece1f6-778d-4138-ac05-357276f6e9f4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6be5ce35-39a6-41fd-bcac-a1ed1233b8f2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
53651115-30e3-4871-9d09-426aa4027e8a Environmental → Air → Indoor EF 3.1 kg 4
ced62152-1995-4a8d-a014-3fec25f164e4 Environmental → Air → Long-term EF 3.1 kg 0
6d002d02-c5f1-4953-9141-1adb758e03e6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
adfb2371-4ae3-4f88-825b-58d890d23f66 Environmental → Air → Unknown EF 3.1 kg 4
d55334c1-b547-4fe6-8302-7f9ce6f33044 Environmental → Ground → Agricultural EF 3.1 kg 4
dc4922d2-85c5-46f2-bc20-71647769e6a5 Environmental → Ground → Non-agricultural EF 3.1 kg 4
ce3db901c377d7e5b07146723fd7e836bf74e407 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
c1889731-a555-4da1-8d3d-f2196f3940c8 Environmental → Ground → Unknown EF 3.1 kg 4
c0559256-debd-40c0-a65b-d185ede08a9d Environmental → Water → Long-term EF 3.1 kg 0
abb5afef-c449-4429-96f5-cbd97b422986 Environmental → Water → Ocean EF 3.1 kg 4
807d8524-8458-4e77-bb65-906069bb9cd3 Environmental → Water → Surface water EF 3.1 kg 4
90dff56d-9203-446a-be88-ea92aa944dd8 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c4ef2554e1509f45",
  "prefLabel": [
    {
      "@value": "Tralkoxydim",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-[1-(Ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-2-cyclohexen-1-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-[1-(Ethoxyimino)propyl]-3-hydroxy-5-mesitylcyclohex-2-enone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "2-Cyclohexen-1-one, 2-[1-(ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-",
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      }
    },
    {
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}

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