Diisooctyl phthalate
fo-96e438ebabd50218
Identity
- Type
- Neutral molecule
- CAS
- 27554-26-3
- EC
- 248-523-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
8- 1,2-Benzenedicarboxylic acid, 1,2-diisooctyl ester
- 1,2-Benzenedicarboxylic acid, diisooctyl ester
- Diisooctyl 1,2-benzenedicarboxylate
- Diisooctyl o-phthalate
- Hexaplas DIOP
- Hexaplas M/O
- Jayflex DIOP
- Phthalic acid, diisooctyl ester
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | IJFPVINAQGWBRJ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3 |
| IUPAC name chemrof:IUPAC_name | Diisooctyl phthalate |
| Molecular formula chemrof:molecular_formula | C24H38O4 |
| Molecular mass chemrof:molecular_mass | 390.564 |
| Monoisotopic mass chemrof:monoisotopic_mass | 390.27701 |
| SMILES string chemrof:smiles_string | CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C |
Known URLs
17Where 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=131-20-4 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=27554-26-3 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34710 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.044.097 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0876 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID50873226 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186540 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6A121LGB40 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0251353 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.496H | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C14577 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C14577 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130660 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/33934 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=545397 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q2532970 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/DIOP | enrich_references.pubchem_identifier_url |
Elementary flows
12| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3e4d0255-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9a30-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9a2f-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9a31-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9a2e-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9a2c-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9a35-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9a2d-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9a33-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9a36-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9a32-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9a34-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (55 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