Consensus flow list

Identity

Type
Neutral molecule
CAS
1928-43-4
EC
217-673-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-ethylhexyl 2,4-dichlorophenoxyacetate

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QZSFJRIWRPJUOH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-ethylhexyl 2,4-dichlorophenoxyacetate
Molecular formula chemrof:molecular_formula C16H22Cl2O3
Molecular mass chemrof:molecular_mass 333.255
Monoisotopic mass chemrof:monoisotopic_mass 332.0946
SMILES string chemrof:smiles_string CCCCC(CC)COC(=O)COc1ccc(Cl)cc1Cl

Known URLs

9

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=1928-43-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.068 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4034235 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1489206 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/D4373UKV25 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.821B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/61286 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3082 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q22329336 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3a71cecd-459e-4f7c-9999-9089720115c5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
37b26b3f-313b-45d0-a5f8-0bc750ef6f7a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
be86f884-68de-41a2-82cb-d2a9fce72c7d Environmental → Air → Indoor EF 3.1 kg 2
215e8158-6464-40a7-bdba-fadb90950ded Environmental → Air → Long-term EF 3.1 kg 0
457583d2-0aaa-4701-a550-a5ce8af8c574 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b58c0b29-da3f-4283-b21f-70b3cd65bd8e Environmental → Air → Unknown EF 3.1 kg 2
0b7eda6b-4a69-4553-9353-7b5420ebf7ba Environmental → Ground → Agricultural EF 3.1 kg 2
02cc9dbb-2e23-46dd-aa0c-f7225cea28bd Environmental → Ground → Non-agricultural EF 3.1 kg 2
7321db8f-2a88-48ca-b2b7-10e9e4ee15b2 Environmental → Ground → Unknown EF 3.1 kg 2
588979c1-cafd-454a-9c3d-b1329c17b750 Environmental → Water → Long-term EF 3.1 kg 0
0f053e97-26ac-4b7e-b339-8538f9901cb2 Environmental → Water → Ocean EF 3.1 kg 2
a57b068f-fbe8-4984-ad30-11ddfd4479ae Environmental → Water → Surface water EF 3.1 kg 2
2f27756a-42c4-4917-9586-e39cf39db7f0 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-56a8d8ba8c228020",
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "217-673-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=217-673-3"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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