Calcium Bis(2-ethylhexanoate)
6b6c3e7b-c6cb-4315-b76b-722a99eb0b45
Identity
- Substance
- fo-25ad5bb09ce7ce0d Chemical salt
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Ground → Unknown
- CAS
- 136-51-6
- EC
- 205-249-0
Context
- Dimension
- Environmental
- Geography
- Unknown
- Media
- Ground
Alternative labels
13- 2-Ethylhexanoic acid calcium salt
- Calcium 2-ethylhexanoate
- Calcium 2-ethylhexoate
- Calcium Hex-Cem
- Calcium bis(2-ethyl hexanoate)
- Hexanoic acid, 2-ethyl-, calcium salt
- Hexanoic acid, 2-ethyl-, calcium salt (2:1)
- NUSA Ca
- Nikka Octhix Ca 5%T
- Nikka Octhix Calcium
- Octa-Soligen Calcium 7HS
- Octope Ca
- Valirex Ca 5
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 6b6c3e7b-c6cb-4315-b76b-722a99eb0b45 | calcium bis(2-ethylhexanoate) | 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 | 6b6c3e7b-c6cb-4315-b76b-722a99eb0b45 | calcium bis(2-ethylhexanoate) | Emissions/Emissions to soil/Emissions to soil, 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 | — | 0.90203 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 0.90203 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_inorganics | — | 0.90203 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_inorganics | — | 0.90203 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 3.4493e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 3.4493e-08 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_inorganics | — | 3.4493e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_inorganics | — | 3.4493e-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": "2-Ethylhexanoic acid calcium salt",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-51-6",
"https://commonchemistry.cas.org/detail?cas_rn=136-51-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Calcium 2-ethylhexanoate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-51-6",
"https://commonchemistry.cas.org/detail?cas_rn=136-51-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Calcium 2-ethylhexoate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-51-6",
"https://commonchemistry.cas.org/detail?cas_rn=136-51-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Calcium Hex-Cem",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-51-6",
"https://commonchemistry.cas.org/detail?cas_rn=136-51-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Calcium bis(2-ethyl hexanoate)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-51-6",
"https://commonchemistry.cas.org/detail?cas_rn=136-51-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hexanoic acid, 2-ethyl-, calcium salt",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-51-6",
"https://commonchemistry.cas.org/detail?cas_rn=136-51-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hexanoic acid, 2-ethyl-, calcium salt (2:1)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-51-6",
"https://commonchemistry.cas.org/detail?cas_rn=136-51-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "NUSA Ca",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-51-6",
"https://commonchemistry.cas.org/detail?cas_rn=136-51-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Nikka Octhix Ca 5%T",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-51-6",
"https://commonchemistry.cas.org/detail?cas_rn=136-51-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Nikka Octhix Calcium",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-51-6",
"https://commonchemistry.cas.org/detail?cas_rn=136-51-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octa-Soligen Calcium 7HS",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-51-6",
"https://commonchemistry.cas.org/detail?cas_rn=136-51-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octope Ca",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-51-6",
"https://commonchemistry.cas.org/detail?cas_rn=136-51-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Valirex Ca 5",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-51-6",
"https://commonchemistry.cas.org/detail?cas_rn=136-51-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C16H30CaO4"
],
"attested_by": {
"C16H30CaO4": [
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16212325"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"LTPCXXMGKDQPAO-UHFFFAOYSA-L"
],
"attested_by": {
"LTPCXXMGKDQPAO-UHFFFAOYSA-L": [
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16212325"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2]"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Calcium Bis(2-ethylhexanoate)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2]"
]
}
],
"attested_by": {
"CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2]": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/2C8H16O2.Ca/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Calcium Bis(2-ethylhexanoate)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2]"
]
}
],
"attested_by": {
"InChI=1S/2C8H16O2.Ca/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
184.292,
326.49
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)C(=O)O.[Ca]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2]"
]
}
],
"attested_by": {
"184.292": [
"rdkit_pre_consensus"
],
"326.49": [
"rdkit_post_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": [
184.077621,
326.177
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)C(=O)O.[Ca]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2]"
]
}
],
"attested_by": {
"184.077621": [
"rdkit_pre_consensus"
],
"326.177": [
"rdkit_post_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Calcium Bis(2-ethylhexanoate)"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Calcium Bis(2-ethylhexanoate)"
]
},
"attested_by": {
"Calcium Bis(2-ethylhexanoate)": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=136-51-6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16212325;CAS:136-51-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[136-51-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16212325",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16212325;CAS:136-51-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[136-51-6]"
}
}
],
"prefLabel": [
{
"@value": "Calcium Bis(2-ethylhexanoate)",
"@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/ChemicalSalt"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "6b6c3e7b-c6cb-4315-b76b-722a99eb0b45",
"identifier": "6b6c3e7b-c6cb-4315-b76b-722a99eb0b45",
"source": "EF 3.1",
"cas_numbers": [
"136-51-6"
],
"ec_numbers": [
"205-249-0"
],
"context": {
"dimension": "Environmental",
"media": "Ground",
"geography": "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": 0.90203
},
{
"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": 3.4493e-8
},
{
"method_uuid": "9d1d43a2-e1aa-4c16-acd4-3dd8a6a2fb85",
"name": "Human toxicity, non-cancer_inorganics",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 3.4493e-8
},
{
"method_uuid": "dacd48b5-4da5-49aa-aff4-cd5f5495c037",
"name": "Ecotoxicity, freshwater_inorganics",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 0.90203
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-unkn",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-25ad5bb09ce7ce0d",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/6b6c3e7b-c6cb-4315-b76b-722a99eb0b45",
"skos:prefLabel": "calcium bis(2-ethylhexanoate)",
"context": "Emissions/Emissions to soil/Emissions to soil, unspecified",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/6b6c3e7b-c6cb-4315-b76b-722a99eb0b45"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/6b6c3e7b-c6cb-4315-b76b-722a99eb0b45"
},
"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": {
"136-51-6": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "calcium bis(2-ethylhexanoate)",
"synonyms": [
"organic",
"calciumbis(2-ethylhexanoate)"
],
"context": [
"Emissions",
"Emissions to soil",
"Emissions to soil, unspecified"
],
"cas_numbers": [
"136-51-6"
],
"ec_numbers": [
"205-249-0"
],
"unit": "kg"
}
}