4-(2,4-dichlorophenoxy)butanoic Acid
fo-839fd2bd81313e93
Identity
- Type
- Neutral molecule
- CAS
- 94-82-6
- EC
- 202-366-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
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- 2,4-D butyric acid
- 2,4-DB
- 2,4-Dichlorophenoxybutyric acid
- 2,4-DM
- 4-(2,4-DB)
- 4-(2,4-Dichlorophenoxy)butyric acid
- Buratal
- Butanoic acid, 4-(2,4-dichlorophenoxy)-
- Butoxone
- Butyrac
- Butyric acid, 4-(2,4-dichlorophenoxy)-
- Embutox
- gamma-(2,4-dichlorophenoxy)-butanoic acid
- gamma-(2,4-dichlorophenoxy)-butyric acid
- gamma-(2,4-dichlorophenoxy)butanoic acid
- gamma-(2,4-dichlorophenoxy)butyric acid
- Legumex
- Legumex D
- Sys 67 Buratal
- γ-(2,4-Dichlorophenoxy)butyric acid
Properties
| Property | Value |
|---|---|
| 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
20Where 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 | 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
16| 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 |
| fc6d4eceeed982d4f505fd45254e94fb3419fb53 | Environmental → Water → River | agribalyse algorithm addition | kg | 0 |
| 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)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works