Consensus flow list

Identity

Type
Neutral molecule
CAS
1928-45-6
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,4-d, Butoxypropyl Ester

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KZWPFFFDRDASOU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H20Cl2O4/c1-2-3-7-19-8-4-9-20-15(18)11-21-14-6-5-12(16)10-13(14)17/h5-6,10H,2-4,7-9,11H2,1H3
IUPAC name chemrof:IUPAC_name 1-Propanol, 3-butoxy-, (2,4-dichlorophenoxy)acetate
Molecular formula chemrof:molecular_formula C15H20Cl2O4
Molecular mass chemrof:molecular_mass 335.227
Monoisotopic mass chemrof:monoisotopic_mass 334.073864
SMILES string chemrof:smiles_string CCCCOCCCOC(=O)COc1ccc(Cl)cc1Cl

Known URLs

6

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=1928-45-6 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0038910 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U3L3P46PKT enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.202D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15997 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27290643 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
62c989f0-2385-42c6-8094-318df3e06c63 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ee1ec0e7-a63a-4394-8c9c-26d6e1902aeb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f2656a9b-2284-4eb9-ac24-3239fd4234bf Environmental → Air → Indoor EF 3.1 kg 2
1eb46386-7c9b-4f19-b4d5-12253ff40b37 Environmental → Air → Long-term EF 3.1 kg 0
2ab757b6-53cd-4894-81b1-d13292126ff2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1f747032-9947-4aaf-8206-e767230b0159 Environmental → Air → Unknown EF 3.1 kg 2
41d80fbf-0727-4387-9438-1f58293d5e8b Environmental → Ground → Agricultural EF 3.1 kg 2
f12dd586-1bf7-40d5-8c68-c51a06d6ee4d Environmental → Ground → Non-agricultural EF 3.1 kg 2
2f34a869-ed8f-4642-a093-55262b138225 Environmental → Ground → Unknown EF 3.1 kg 2
cb6eb9f0-a17e-4ce9-9ea4-470dbcd69bad Environmental → Water → Long-term EF 3.1 kg 0
60ff655e-6bcc-40ef-9a91-cec53c6fd844 Environmental → Water → Ocean EF 3.1 kg 2
854d0282-2137-4ef4-9234-9c2bf9742a7e Environmental → Water → Surface water EF 3.1 kg 2
cf7fe28b-c82c-4104-8801-60d81a28126d 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-978c224e6878cace",
  "prefLabel": [
    {
      "@value": "2,4-d, Butoxypropyl Ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Propanol, 3-butoxy-, (2,4-dichlorophenoxy)acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1928-45-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1928-45-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-D 3-butoxypropyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=1928-45-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-D Butoxypropyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-D-3-Butoxypropyl",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetic acid, (2,4-dichlorophenoxy)-, 3-butoxypropyl ester",
      "@language": "en",
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    },
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        }
      ]
    },
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    "https://w3id.org/chemrof/inchi2d_string": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
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      "@value": [
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          ]
        },
        {
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        }
      ],
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      },
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
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  "created_from": {
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  "@type": [
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  ]
}

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