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
Alternative labels
7- 2-(2,4-Dichlorophenoxy)propionic acid isooctyl ester
- Dichlorprop isooctyl ester
- Dichlorprop-isoctyl
- Isooctyl 2-(2,4-dichlorophenoxy)propionate
- Propanoic acid, 2-(2,4-dichlorophenoxy)-, isooctyl ester
- Propionic acid, 2-(2,4-dichlorophenoxy)-, isooctyl ester
- 2,4-DP, Isooctyl ester
Properties
| Property | Value |
|---|---|
| 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
6Where 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 | https://www.wikidata.org/wiki/Q27274883 | enrich_references.pubchem_identifier_url |
Elementary flows
14| 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 |
| eb214668906a120703265aa3872321ce02f970e1 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-acf0-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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- This is not that chemical
- This record is two substances, or it is a second copy of one
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