Consensus flow list

Identity

Type
Neutral molecule
CAS
2545-59-7
EC
219-828-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-butoxyethyl 2,4,5-trichlorophenoxyacetate

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GLDWASBMYWLQGG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H17Cl3O4/c1-2-3-4-19-5-6-20-14(18)9-21-13-8-11(16)10(15)7-12(13)17/h7-8H,2-6,9H2,1H3
IUPAC name chemrof:IUPAC_name 2-butoxyethyl 2,4,5-trichlorophenoxyacetate
Molecular formula chemrof:molecular_formula C14H17Cl3O4
Molecular mass chemrof:molecular_mass 355.645
Monoisotopic mass chemrof:monoisotopic_mass 354.019242
SMILES string chemrof:smiles_string CCCCOCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl

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=2545-59-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.018.026 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3041328 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186220 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DNE6TYF7TQ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.610D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17349 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27276504 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
948bf653-02b4-4cdc-99f6-88e590339e5c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7cc9ab57-5e00-4c82-a3e4-4c8bc065a8c8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2d350867-e0b0-430a-b3e4-657fa0880dc2 Environmental → Air → Indoor EF 3.1 kg 2
bd5ce0cc-032c-42a2-8498-a948c7cb5c20 Environmental → Air → Long-term EF 3.1 kg 0
d6680b86-f9c1-4560-ab28-60f04f7bce3a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ef98c947-e70a-4c4b-ab13-98ff093be6dc Environmental → Air → Unknown EF 3.1 kg 2
c7e915c8-3d9c-4d44-a5fd-3897d2a492e9 Environmental → Ground → Agricultural EF 3.1 kg 2
46be5ef9-928e-4f72-b733-1a0458bb93c9 Environmental → Ground → Non-agricultural EF 3.1 kg 2
eb642e6b-69d0-41a8-b47b-78fb363b46f1 Environmental → Ground → Unknown EF 3.1 kg 2
a5f77a1d-4eed-4204-8e1b-1193c63d74d4 Environmental → Water → Long-term EF 3.1 kg 0
8413210b-c7c0-4125-8c3b-2b17161102db Environmental → Water → Ocean EF 3.1 kg 2
92b361e7-2a90-48bc-b0c1-65aee458e67f Environmental → Water → Surface water EF 3.1 kg 2
16da422f-7b00-4117-9882-9e1f7fa336bd 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
{
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      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "219-828-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=219-828-0"
      ],
      "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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