Consensus flow list

Identity

Type
NeutralMolecule
CAS
94-82-6
EC
202-366-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 4-(2,4-dichlorophenoxy)butanoic Acid

What it is used for

4

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
herbicide CHEBI:24527 A substance used to destroy plant pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI
plant growth regulator CHEBI:26155 A chemical, natural or artificial, that can affect the rate of growth of a plant. ChEBI

Alternative labels

20

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YIVXMZJTEQBPQO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)
IUPAC name chemrof:IUPAC_name 4-(2,4-dichlorophenoxy)butanoic Acid
Molecular formula chemrof:molecular_formula C10H10Cl2O3
Molecular mass chemrof:molecular_mass 249.093
Monoisotopic mass chemrof:monoisotopic_mass 248.0007
SMILES string chemrof:smiles_string O=C(O)CCCOc1ccc(Cl)cc1Cl

Known URLs

20

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=94-82-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73173 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.152 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7024035 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=70337 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1892377 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SL314DW868 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.948I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14404 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14404 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52709 enrich_references.pubchem_identifier_url
patent patent:GB804565 enrich_references.chebi_xrefs
patent patent:GB883255 enrich_references.chebi_xrefs
pesticides pesticides:2,4-db enrich_references.chebi_xrefs
ppdb ppdb:5 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1489 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
reaxys reaxys:1976809 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q229887 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,4-DB enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
e2fb52f7-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-9040-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
abe3610b-96bc-456e-a58b-d86bf3872f1b Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-903f-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-a016-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-903e-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-903c-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-9042-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a0f80ae1613ba4760f07f82a3ecb331f2e01f029 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-903d-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-a018-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9043-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-a017-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
723dec81b2ffe492a0da4808a1a9295396332b5b Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-a019-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-839fd2bd81313e93",
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  ],
  "altLabel": [
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    {
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    {
      "@value": "Butoxone",
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    {
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    },
    {
      "@value": "Sys 67 Buratal",
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