Bis(2-ethylhexyl) Succinate
fo-0e3bedc2b94efaf5
Identity
- Type
- Neutral molecule
- CAS
- 2915-57-3
- EC
- 220-836-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
8- Butanedioic acid, 1,4-bis(2-ethylhexyl) ester
- Butanedioic acid, bis(2-ethylhexyl) ester
- Crodamol OSU
- Crodamol OSU-LQ-(JP)
- Di-2-ethylhexyl succinate
- Dioctyl succinate
- KAK DIOS
- Succinic acid, bis(2-ethylhexyl) ester
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | WMNULTDOANGXRT-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C20H38O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3 |
| IUPAC name chemrof:IUPAC_name | Bis(2-ethylhexyl) Succinate |
| Molecular formula chemrof:molecular_formula | C20H38O4 |
| Molecular mass chemrof:molecular_mass | 342.52 |
| Monoisotopic mass chemrof:monoisotopic_mass | 342.27701 |
| SMILES string chemrof:smiles_string | CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCCC |
Known URLs
7Where 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=2915-57-3 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.018.943 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID60863057 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/69W9UMG3P8 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J306.840D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/102903 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27264383 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5f226387-6b7b-4b8f-83d4-92aa0a377707 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| d1cfd47a-2a28-4bcc-8ba4-4a086bdc542f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 176ceb97-81ab-400b-a9eb-5a020645d9a1 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| bc3071a5-eded-43a9-af5c-71835d4c8cb0 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a307c59f-f0a1-4fc9-a40e-63d3ca9a9fd3 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 8f076abe-1aac-48fd-b476-842dc129d948 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 9d480589-a263-4383-a774-4716a8845df8 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 5f43b99d-e1c6-4a55-925c-7fb36141553e | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| e8da4927-839b-438b-952b-b950f695b824 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 54c86f71-8838-416f-b747-b50d85f0a8e0 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c8d88929-ca7d-45ac-8d47-2f0adbf3b754 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 34cedea6-1e11-4414-974e-3aa23673f038 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 432eae4f-4a57-41db-a401-b265662df091 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-0e3bedc2b94efaf5",
"prefLabel": [
{
"@value": "Bis(2-ethylhexyl) Succinate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "Butanedioic acid, 1,4-bis(2-ethylhexyl) ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:2915-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2915-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Butanedioic acid, bis(2-ethylhexyl) ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:2915-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2915-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Crodamol OSU",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:2915-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2915-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Crodamol OSU-LQ-(JP)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:2915-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2915-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Di-2-ethylhexyl succinate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:2915-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2915-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dioctyl succinate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:2915-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2915-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "KAK DIOS",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:2915-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2915-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Succinic acid, bis(2-ethylhexyl) ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:2915-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2915-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C20H38O4"
],
"attested_by": {
"C20H38O4": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:102903"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCCC"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"WMNULTDOANGXRT-UHFFFAOYSA-N"
],
"attested_by": {
"WMNULTDOANGXRT-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:102903"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCCC"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCCC"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Bis(2-ethylhexyl) Succinate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCCC"
]
}
],
"attested_by": {
"CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCCC": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C20H38O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Bis(2-ethylhexyl) Succinate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCCC"
]
}
],
"attested_by": {
"InChI=1S/C20H38O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Bis(2-ethylhexyl) Succinate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Bis(2-ethylhexyl) Succinate"
]
},
"attested_by": {
"Bis(2-ethylhexyl) Succinate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
342.52
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCCC"
]
}
],
"attested_by": {
"342.52": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
342.27701
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCCC"
]
}
],
"attested_by": {
"342.27701": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J306.840D",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:102903;CAS:2915-57-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2915-57-3]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.018.943",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:102903;CAS:2915-57-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2915-57-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2915-57-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"2915-57-3"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID60863057",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:102903;CAS:2915-57-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2915-57-3]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/69W9UMG3P8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:102903;CAS:2915-57-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2915-57-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/102903",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:102903;CAS:2915-57-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[2915-57-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27264383",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:102903;CAS:2915-57-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2915-57-3]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "176ceb97-81ab-400b-a9eb-5a020645d9a1",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "brightway-flows",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"2915-57-3"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=2915-57-3"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2915-57-3"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"220-836-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=220-836-1"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@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