3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl Valerate
666b3d38-0bc7-4f78-a73c-34c5281219cf
Identity
- Substance
- fo-18cc3ffea7af3869 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Ground level → Urban (>1000 people/square mile)
- CAS
- 15834-04-5
- EC
- 239-937-7
Context
- Dimension
- Environmental
- Media
- Air
- Population density
- Urban (>1000 people/square mile)
- Strata
- Ground level
Alternative labels
9- Nissan Unister CA 164
- Pentaerythritol tetrapentanoate
- Pentaerythritol, tetravalerate
- Pentanoic acid, 1,1′-[2,2-bis[[(1-oxopentyl)oxy]methyl]-1,3-propanediyl] ester
- Pentanoic acid, 2,2-bis[[(1-oxopentyl)oxy]methyl]-1,3-propanediyl ester
- Perstorp PETV
- Unister CA 164
- Valeric acid, neopentanetetrayl ester
- [3-Pentanoyloxy-2,2-bis(pentanoyloxymethyl)propyl] Pentanoat
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 666b3d38-0bc7-4f78-a73c-34c5281219cf | 3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl valerate | 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 | 666b3d38-0bc7-4f78-a73c-34c5281219cf | 3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl valerate | Emissions/Emissions to air/Emissions to urban air close to ground | 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 | — | 0.009458 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 0.009458 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 0.009458 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 0.009458 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 3.6768e-07 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 3.6768e-07 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 3.6768e-07 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 3.6768e-07 | 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": "Nissan Unister CA 164",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15834-04-5",
"https://commonchemistry.cas.org/detail?cas_rn=15834-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Pentaerythritol tetrapentanoate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15834-04-5",
"https://commonchemistry.cas.org/detail?cas_rn=15834-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Pentaerythritol, tetravalerate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15834-04-5",
"https://commonchemistry.cas.org/detail?cas_rn=15834-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Pentanoic acid, 1,1′-[2,2-bis[[(1-oxopentyl)oxy]methyl]-1,3-propanediyl] ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15834-04-5",
"https://commonchemistry.cas.org/detail?cas_rn=15834-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Pentanoic acid, 2,2-bis[[(1-oxopentyl)oxy]methyl]-1,3-propanediyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15834-04-5",
"https://commonchemistry.cas.org/detail?cas_rn=15834-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Perstorp PETV",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15834-04-5",
"https://commonchemistry.cas.org/detail?cas_rn=15834-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Unister CA 164",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15834-04-5",
"https://commonchemistry.cas.org/detail?cas_rn=15834-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Valeric acid, neopentanetetrayl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15834-04-5",
"https://commonchemistry.cas.org/detail?cas_rn=15834-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "[3-Pentanoyloxy-2,2-bis(pentanoyloxymethyl)propyl] Pentanoat",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15834-04-5",
"https://commonchemistry.cas.org/detail?cas_rn=15834-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C25H44O8"
],
"attested_by": {
"C25H44O8": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:85131"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ZQYCVIGMGPFQQS-UHFFFAOYSA-N"
],
"attested_by": {
"ZQYCVIGMGPFQQS-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:85131"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl Valerate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC"
]
}
],
"attested_by": {
"CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)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/C25H44O8/c1-5-9-13-21(26)30-17-25(18-31-22(27)14-10-6-2,19-32-23(28)15-11-7-3)20-33-24(29)16-12-8-4/h5-20H2,1-4H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl Valerate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC"
]
}
],
"attested_by": {
"InChI=1S/C25H44O8/c1-5-9-13-21(26)30-17-25(18-31-22(27)14-10-6-2,19-32-23(28)15-11-7-3)20-33-24(29)16-12-8-4/h5-20H2,1-4H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl Valerate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl Valerate"
]
},
"attested_by": {
"3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl Valerate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
472.619
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC"
]
}
],
"attested_by": {
"472.619": [
"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": [
472.303618
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC"
]
}
],
"attested_by": {
"472.303618": [
"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=J106.230A",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:85131;CAS:15834-04-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[15834-04-5]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.036.292",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:85131;CAS:15834-04-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[15834-04-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=15834-04-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:85131;CAS:15834-04-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[15834-04-5]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID20893259",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:85131;CAS:15834-04-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[15834-04-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/85131",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:85131;CAS:15834-04-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[15834-04-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q81982517",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:85131;CAS:15834-04-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[15834-04-5]"
}
}
],
"prefLabel": [
{
"@value": "3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl Valerate",
"@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": "666b3d38-0bc7-4f78-a73c-34c5281219cf",
"identifier": "666b3d38-0bc7-4f78-a73c-34c5281219cf",
"source": "EF 3.1",
"cas_numbers": [
"15834-04-5"
],
"ec_numbers": [
"239-937-7"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Ground level",
"population_density": "Urban (>1000 people/square mile)"
},
"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": 0.0094578
},
{
"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": 3.6768e-7
},
{
"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": 3.6768e-7
},
{
"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": 0.0094578
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-18cc3ffea7af3869",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/666b3d38-0bc7-4f78-a73c-34c5281219cf",
"skos:prefLabel": "3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl valerate",
"context": "Emissions/Emissions to air/Emissions to urban air close to ground",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/666b3d38-0bc7-4f78-a73c-34c5281219cf"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/666b3d38-0bc7-4f78-a73c-34c5281219cf"
},
"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": "normalise_property_values",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "strip_catalogue_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"15834-04-5": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl valerate",
"synonyms": [
"organic",
"2,2-bis[[(1-oxopentyl)oxy]methyl]propane-1,3-diyldivalerate",
"emkaraterl15dr",
"emkaraterl3920"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to urban air close to ground"
],
"cas_numbers": [
"15834-04-5"
],
"ec_numbers": [
"239-937-7"
],
"unit": "kg"
}
}