2-octyldodecyl Isooctadecanoate
b4a82b55-5447-4369-ad87-11d50d1fb18b
Identity
- Substance
- fo-5b5ad10374b64f1e Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Unknown
- CAS
- 93803-87-3
- EC
- 298-361-4
Context
- Dimension
- Environmental
- Media
- Air
- Strata
- Unknown
Alternative labels
2- 2-Octyldodecyl isostearate
- Isooctadecanoic acid, 2-octyldodecyl ester
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | b4a82b55-5447-4369-ad87-11d50d1fb18b | 2-octyldodecyl isooctadecanoate | 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 | b4a82b55-5447-4369-ad87-11d50d1fb18b | 2-octyldodecyl isooctadecanoate | Emissions/Emissions to air/Emissions to air, unspecified | 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 | — | 0.001097 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 0.001097 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 0.001097 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 0.001097 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 2.9194e-07 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 2.9194e-07 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 2.9194e-07 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 2.9194e-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": "2-Octyldodecyl isostearate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:93803-87-3",
"https://commonchemistry.cas.org/detail?cas_rn=93803-87-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Isooctadecanoic acid, 2-octyldodecyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:93803-87-3",
"https://commonchemistry.cas.org/detail?cas_rn=93803-87-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C38H76O2"
],
"attested_by": {
"C38H76O2": [
"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:44147658"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"QNJOVLAFLJQFBF-UHFFFAOYSA-N"
],
"attested_by": {
"QNJOVLAFLJQFBF-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:44147658"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-octyldodecyl Isooctadecanoate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C"
]
}
],
"attested_by": {
"CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C38H76O2/c1-5-7-9-11-13-21-25-29-33-37(32-28-24-12-10-8-6-2)35-40-38(39)34-30-26-22-19-17-15-14-16-18-20-23-27-31-36(3)4/h36-37H,5-35H2,1-4H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-octyldodecyl Isooctadecanoate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C"
]
}
],
"attested_by": {
"InChI=1S/C38H76O2/c1-5-7-9-11-13-21-25-29-33-37(32-28-24-12-10-8-6-2)35-40-38(39)34-30-26-22-19-17-15-14-16-18-20-23-27-31-36(3)4/h36-37H,5-35H2,1-4H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2-octyldodecyl Isooctadecanoate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-octyldodecyl Isooctadecanoate"
]
},
"attested_by": {
"2-octyldodecyl Isooctadecanoate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
565.024
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C"
]
}
],
"attested_by": {
"565.024": [
"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": [
564.584532
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C"
]
}
],
"attested_by": {
"564.584532": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.089.377",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:44147658;CAS:93803-87-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[93803-87-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=93803-87-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"93803-87-3"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9VT64134L0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:44147658;CAS:93803-87-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[93803-87-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/44147658",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:44147658;CAS:93803-87-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[93803-87-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27273284",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:44147658;CAS:93803-87-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[93803-87-3]"
}
}
],
"prefLabel": [
{
"@value": "2-octyldodecyl Isooctadecanoate",
"@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": "b4a82b55-5447-4369-ad87-11d50d1fb18b",
"identifier": "b4a82b55-5447-4369-ad87-11d50d1fb18b",
"source": "EF 3.1",
"cas_numbers": [
"93803-87-3"
],
"ec_numbers": [
"298-361-4"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Unknown"
},
"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": 0.0010971
},
{
"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": 2.9194e-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": 2.9194e-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": 0.0010971
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-unkn",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-5b5ad10374b64f1e",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/b4a82b55-5447-4369-ad87-11d50d1fb18b",
"skos:prefLabel": "2-octyldodecyl isooctadecanoate",
"context": "Emissions/Emissions to air/Emissions to air, unspecified",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/b4a82b55-5447-4369-ad87-11d50d1fb18b"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/b4a82b55-5447-4369-ad87-11d50d1fb18b"
},
"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": "consensus_match",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"93803-87-3": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "2-octyldodecyl isooctadecanoate",
"synonyms": [
"organic",
"2-octyldodecylisooctadecanoate"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to air, unspecified"
],
"cas_numbers": [
"93803-87-3"
],
"ec_numbers": [
"298-361-4"
],
"unit": "kg"
}
}
Something wrong here?
A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.
- A row from my list should not reach this flow
- This flow is not that chemical
- The compartment or the unit is wrong
- One of these characterisation factors cannot be this substance's
You do not need to run a build or clone anything. Name the row and say what your evidence is; the measurement is done for you. How contributing works