Consensus flow list

2-(2,4-dichlorophenoxy)propanoic Acid, Isooctyl Ester

fo-9460d3ec01c1765f

Identity

Type
Neutral molecule
CAS
28631-35-8
EC
249-110-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-(2,4-dichlorophenoxy)propanoic Acid, Isooctyl Ester

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OAKNYWMOJIXXDI-UHFFFAOYSA-N, RQRUQMZZBOQUNB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H24Cl2O3/c1-12(2)7-5-4-6-10-21-17(20)13(3)22-16-9-8-14(18)11-15(16)19/h8-9,11-13H,4-7,10H2,1-3H3
IUPAC name chemrof:IUPAC_name 2-(2,4-dichlorophenoxy)propanoic Acid, Isooctyl Ester
Molecular formula chemrof:molecular_formula C17H24Cl2O3
SMILES string chemrof:smiles_string CC(C)CCCCCOC(=O)C(C)Oc1ccc(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=28631-35-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.044.631 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BU3023E6KH enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15754796 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62834 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27274883 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3e4d0260-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe0acd60-3ddc-11dd-acec-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
274cfe1b-7861-4d0b-ae97-9e5585845ff1 Environmental → Air → Indoor EF 3.1 kg 2
fe0acd60-3ddc-11dd-aceb-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-aced-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe0acd60-3ddc-11dd-acea-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-ace8-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-acf1-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-ace9-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-acef-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-acf2-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
fe0acd60-3ddc-11dd-acee-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
fe0acd60-3ddc-11dd-acf0-0050c2490048 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 
{
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}

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