Consensus flow list

Identity

Type
Neutral molecule
CAS
25168-26-7
EC
246-704-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,4-dichlorophenoxyacetic Acid, Isooctyl Ester

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BBPLSOGERZQYQC-UHFFFAOYSA-N, XIFMCLXOAWQDDX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H22Cl2O3/c1-12(2)6-4-3-5-9-20-16(19)11-21-15-8-7-13(17)10-14(15)18/h7-8,10,12H,3-6,9,11H2,1-2H3
IUPAC name chemrof:IUPAC_name 2,4-dichlorophenoxyacetic Acid, Isooctyl Ester
Molecular formula chemrof:molecular_formula C16H22Cl2O3
SMILES string chemrof:smiles_string CC(C)CCCCCOC(=O)COc1ccc(Cl)cc1Cl

Known URLs

7

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=25168-26-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.042.444 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/M7GLT14C7B enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.455C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/176514736 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/24678 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27283594 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3e4cdb5e-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe0acd60-3ddc-11dd-aca3-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3c258f50-ded0-482d-afb4-241a0902d598 Environmental → Air → Indoor EF 3.1 kg 2
fe0acd60-3ddc-11dd-aca2-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-aca4-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe0acd60-3ddc-11dd-aca1-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-ac9f-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-a6d8-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-aca0-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-aca6-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a6d9-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
fe0acd60-3ddc-11dd-aca5-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
fe0acd60-3ddc-11dd-aca7-0050c2490048 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-be3a11ddbcb50f13",
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      "@value": "2,4-dichlorophenoxyacetic Acid, Isooctyl Ester",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,4-D Isoctyl",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "2,4-D isooctyl ester",
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      "@value": "2,4-Dichlorophenoxyacetic acid isooctyl ester",
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