Bis(2-ethylhexyl) Adipate
fo-706948604cbf1942
Identity
- Type
- Neutral molecule
- CAS
- 103-23-1
- EC
- 203-090-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
46- Adimoll DO
- adipic acid bis(2-ethylhexyl) ester
- Adipic acid diester with 2-ethylhexanol
- Adipic acid, bis(2-ethylhexyl) ester
- Adipol 2EH
- ADO
- ADO (lubricating oil)
- Arlamol DOA
- BEHA
- bis(2-ethylhexyl) hexanedioate
- Bisoflex DOA
- Cereplast DOA
- Crodamol DOA
- Dermol DOA
- Di(2-ethylhexyl) adipate
- Diacizer DOA
- Diethylhexyl adipate
- Dioctyl adipate
- DOA
- DOA-S
- Dub Doa
- Effomoll DA
- Effomoll DOA
- EFKA PL 5643
- Ergoplast AdDO
- Fineneo-EHA
- Flexol A 26
- Hexanedioic acid, 1,6-bis(2-ethylhexyl) ester
- Hexanedioic acid, bis(2-ethylhexyl) ester
- Jayflex DOA 2
- Kodaflex DOA
- Lankroflex DOA
- Monocizer DOA
- Monoplex DOA
- Octyl adipate
- Oxsoft DOA
- Plasthall DOA
- Plastimoll DOA
- Plastomoll DOA
- Reomol DOA
- Sansocizer DOA
- Truflex DOA
- Tubisoft VST
- Vestinol OA
- Vistone A 10
- Adipate, bis(2-ethylhexyl)-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | SAOKZLXYCUGLFA-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3 |
| IUPAC name chemrof:IUPAC_name | Bis(2-ethylhexyl) Adipate |
| Molecular formula chemrof:molecular_formula | C22H42O4 |
| Molecular mass chemrof:molecular_mass | 370.574 |
| Monoisotopic mass chemrof:monoisotopic_mass | 370.30831 |
| SMILES string chemrof:smiles_string | CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC |
Known URLs
25Where 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=103-23-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34675 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.810 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.113.714 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.212.791 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0020606 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=56775 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1414950 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/MBY1SL921L | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0040270 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.602A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C14240 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C14240 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=48956 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7641 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16303285 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23246700 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23356645 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24016063 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/6697017 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/7781821 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1803774 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1306945 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q412835 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Bis(2-ethylhexyl)_adipate | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f21411de-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-ade4-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 6 |
| 3c38f381-f134-4289-9a8e-3fa6ede16c3e | Environmental → Air → Indoor | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-ade3-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-ade5-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-ade2-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-ade0-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-9a95-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-ade1-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-ade7-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9a96-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-ade6-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 6 |
| 966ae0af1c904a3863cd54a1fc41a215fafc29cd | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-9a94-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 6 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
{
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{
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{
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},
{
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},
{
"@value": "Diethylhexyl adipate",
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{
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{
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{
"@value": "Dub Doa",
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},
{
"@value": "Effomoll DA",
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},
{
"@value": "Effomoll DOA",
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},
{
"@value": "EFKA PL 5643",
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},
{
"@value": "Ergoplast AdDO",
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},
{
"@value": "Fineneo-EHA",
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},
{
"@value": "Flexol A 26",
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},
{
"@value": "Hexanedioic acid, 1,6-bis(2-ethylhexyl) ester",
"@language": "en",
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}
},
{
"@value": "Hexanedioic acid, bis(2-ethylhexyl) ester",
"@language": "en",
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}
},
{
"@value": "Jayflex DOA 2",
"@language": "en",
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},
{
"@value": "Kodaflex DOA",
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},
{
"@value": "Lankroflex DOA",
"@language": "en",
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},
{
"@value": "Monocizer DOA",
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},
{
"@value": "Monoplex DOA",
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},
{
"@value": "Octyl adipate",
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},
{
"@value": "Oxsoft DOA",
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"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=103-23-1"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"203-090-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=203-090-1"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A diester resulting from the formal condensation of the carboxy groups of adipic acid with 2-ethylhexan-1-ol. It is used as a plasticiser in the preparation of various polymers.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_34675"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
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