Dipentaerythritol Hexaesters Of Pentanoic, Heptanoic And 3,5,5 Trimethylhexanoic Acid
81e1f0d0-d414-4cb9-9b3e-4bbcd76eaf33
Identity
- Substance
- fo-d5dcfa0c4a069a29 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Aircraft cruise height
- CAS
- 67762-52-1
- EC
- 267-021-7
Context
- Dimension
- Environmental
- Media
- Air
- Strata
- Aircraft cruise height
Alternative labels
2- Carboxylic acids, C5-9, hexaesters with dipentaerythritol
- Fatty acids, C5-9, hexaesters with dipentaerythritol
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 81e1f0d0-d414-4cb9-9b3e-4bbcd76eaf33 | dipentaerythritol hexaesters of pentanoic, heptanoic and 3,5,5 trimethylhexanoic acid | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | 81e1f0d0-d414-4cb9-9b3e-4bbcd76eaf33 | dipentaerythritol hexaesters of pentanoic, heptanoic and 3,5,5 trimethylhexanoic acid | Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere | exactMatch | — |
Characterisation factors
8- consensus-flow-list 4
- European Commission — JRC 4
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater | — | 1.1088e-06 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 1.1088e-06 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 1.1088e-06 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 1.1088e-06 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 5.0734e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 5.0734e-08 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 5.0734e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 5.0734e-08 | sole |
History
The change log and the PROV-O trail (2 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
{
"altLabel": [
{
"@value": "Carboxylic acids, C5-9, hexaesters with dipentaerythritol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:67762-52-1",
"https://commonchemistry.cas.org/detail?cas_rn=67762-52-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Fatty acids, C5-9, hexaesters with dipentaerythritol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:67762-52-1",
"https://commonchemistry.cas.org/detail?cas_rn=67762-52-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C15H30O8",
"C32H68O8Ti"
],
"attested_by": {
"C15H30O8": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
],
"C32H68O8Ti": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:105574",
"CID:49822942"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(=O)OCC(CO)(CO)COCC(CO)(CO)CO"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ITJIINAVMOBHSF-UHFFFAOYSA-N",
"WZLRYEIJALOESF-UHFFFAOYSA-R"
],
"attested_by": {
"ITJIINAVMOBHSF-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
],
"WZLRYEIJALOESF-UHFFFAOYSA-R": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:105574",
"CID:49822942"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(=O)OCC(CO)(CO)COCC(CO)(CO)CO"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CCCCC(=O)OCC(CO)(CO)COCC(CO)(CO)CO",
"[H+].[H+].[H+].[H+].CCCC(C(CC)C[O-])[O-].CCCC(C(CC)C[O-])[O-].CCCC(C(CC)C[O-])[O-].CCCC(C(CC)C[O-])[O-].[Ti+4]"
],
"attested_by": {
"CCCCC(=O)OCC(CO)(CO)COCC(CO)(CO)CO": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
],
"[H+].[H+].[H+].[H+].CCCC(C(CC)C[O-])[O-].CCCC(C(CC)C[O-])[O-].CCCC(C(CC)C[O-])[O-].CCCC(C(CC)C[O-])[O-].[Ti+4]": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:105574",
"CID:49822942"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(=O)OCC(CO)(CO)COCC(CO)(CO)CO"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/4C8H16O2.Ti/c4*1-3-5-8(10)7(4-2)6-9;/h4*7-8H,3-6H2,1-2H3;/q4*-2;+4/p+4",
"InChI=1S/C15H30O8/c1-2-3-4-13(21)23-12-15(8-19,9-20)11-22-10-14(5-16,6-17)7-18/h16-20H,2-12H2,1H3"
],
"attested_by": {
"InChI=1S/4C8H16O2.Ti/c4*1-3-5-8(10)7(4-2)6-9;/h4*7-8H,3-6H2,1-2H3;/q4*-2;+4/p+4": [
"enrich_references.pubchem_semantic"
],
"InChI=1S/C15H30O8/c1-2-3-4-13(21)23-12-15(8-19,9-20)11-22-10-14(5-16,6-17)7-18/h16-20H,2-12H2,1H3": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:105574",
"CID:49822942"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(=O)OCC(CO)(CO)COCC(CO)(CO)CO"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"[2-[[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]methyl]-2-(hydroxymethyl)-3-oxidanyl-propyl] pentanoate",
"[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propyl] pentanoate",
"pentanoic acid [3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propyl] ester",
"tetrakis(2-ethylhexane-1,3-diolate);hydron;titanium(4+)",
"valeric acid [3-hydroxy-2-[(3-hydroxy-2,2-dimethylol-propoxy)methyl]-2-methylol-propyl] ester"
],
"attested_by": {
"[2-[[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]methyl]-2-(hydroxymethyl)-3-oxidanyl-propyl] pentanoate": [
"enrich_references.pubchem_semantic"
],
"[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propyl] pentanoate": [
"enrich_references.pubchem_semantic"
],
"pentanoic acid [3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propyl] ester": [
"enrich_references.pubchem_semantic"
],
"tetrakis(2-ethylhexane-1,3-diolate);hydron;titanium(4+)": [
"enrich_references.pubchem_semantic"
],
"valeric acid [3-hydroxy-2-[(3-hydroxy-2,2-dimethylol-propoxy)methyl]-2-methylol-propyl] ester": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:105574",
"CID:49822942"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.024.500",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:49822942;CAS:67762-52-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[67762-52-1]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.059.648",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:49822942;CAS:67762-52-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[67762-52-1]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=67762-52-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"67762-52-1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID90867321",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:105574;CAS:67762-52-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[67762-52-1]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5492K8B3A0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:49822942;CAS:67762-52-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[67762-52-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/105574",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:105574;CAS:67762-52-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[67762-52-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/49822942",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:49822942;CAS:67762-52-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[67762-52-1]"
}
}
],
"prefLabel": [
{
"@value": "Dipentaerythritol Hexaesters Of Pentanoic, Heptanoic And 3,5,5 Trimethylhexanoic Acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "81e1f0d0-d414-4cb9-9b3e-4bbcd76eaf33",
"identifier": "81e1f0d0-d414-4cb9-9b3e-4bbcd76eaf33",
"source": "EF 3.1",
"cas_numbers": [
"67762-52-1"
],
"ec_numbers": [
"267-021-7"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Aircraft cruise height"
},
"synonyms": [],
"lcia_methods": [
{
"method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
"name": "Ecotoxicity, freshwater",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 1.1088e-6
},
{
"method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
"name": "Human toxicity, non-cancer",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 5.0734e-8
},
{
"method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
"name": "Human toxicity, non-cancer_organics",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 5.0734e-8
},
{
"method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
"name": "Ecotoxicity, freshwater_organics",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 1.1088e-6
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-aicrhe",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-d5dcfa0c4a069a29",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/81e1f0d0-d414-4cb9-9b3e-4bbcd76eaf33",
"skos:prefLabel": "dipentaerythritol hexaesters of pentanoic, heptanoic and 3,5,5 trimethylhexanoic acid",
"context": "Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/81e1f0d0-d414-4cb9-9b3e-4bbcd76eaf33"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/81e1f0d0-d414-4cb9-9b3e-4bbcd76eaf33"
},
"provenance": {
"prov:wasGeneratedBy": "build_concept_associations",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
]
}
}
],
"_sources": {
"prefLabel": "normalize_name_case",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "withhold_ambiguous_mass",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "dedupe_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"67762-52-1": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "dipentaerythritol hexaesters of pentanoic, heptanoic and 3,5,5 trimethylhexanoic acid",
"synonyms": [
"organic",
"fattyacids,c5-9,hexaesterswithdipentaerythritol"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to lower stratosphere and upper troposphere"
],
"cas_numbers": [
"67762-52-1"
],
"ec_numbers": [
"267-021-7"
],
"unit": "kg"
}
}