Reaction Mass Of 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-5-yl Butyrate And 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-6-yl Butyrate
2a3aa834-ce84-4167-a6ef-93e1c883aaca
Identity
- Substance
- fo-563c28c30a37ffc3 NeutralMolecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Surface water
- CAS
- 113889-23-9
- EC
- 441-420-8
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Surface water
Alternative labels
3- Butanoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl ester
- Cyclobutanate
- Tricyclodecenyl butyrate
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 2a3aa834-ce84-4167-a6ef-93e1c883aaca | reaction mass of 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-5-yl butyrate and 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-6-yl butyrate | 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 | 2a3aa834-ce84-4167-a6ef-93e1c883aaca | reaction mass of 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-5-yl butyrate and 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-6-yl butyrate | Emissions/Emissions to water/Emissions to fresh water | 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 | — | 10,639 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 10,639 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 10,639 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 10,639 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 4.0293e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 4.0293e-08 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 4.0293e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 4.0293e-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": "Butanoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:113889-23-9",
"https://commonchemistry.cas.org/detail?cas_rn=113889-23-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cyclobutanate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:113889-23-9",
"https://commonchemistry.cas.org/detail?cas_rn=113889-23-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tricyclodecenyl butyrate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:113889-23-9",
"https://commonchemistry.cas.org/detail?cas_rn=113889-23-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C14H20O2"
],
"attested_by": {
"C14H20O2": [
"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:44153588"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(=O)OC1C=CC2C1C3CCC2C3"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"KLEHDRXJJZQKPQ-UHFFFAOYSA-N"
],
"attested_by": {
"KLEHDRXJJZQKPQ-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:44153588"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(=O)OC1C=CC2C1C3CCC2C3"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CCCC(=O)OC1C=CC2C1C3CCC2C3"
],
"attested_by": {
"CCCC(=O)OC1C=CC2C1C3CCC2C3": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:44153588"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(=O)OC1C=CC2C1C3CCC2C3"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C14H20O2/c1-2-3-13(15)16-12-7-6-11-9-4-5-10(8-9)14(11)12/h6-7,9-12,14H,2-5,8H2,1H3"
],
"attested_by": {
"InChI=1S/C14H20O2/c1-2-3-13(15)16-12-7-6-11-9-4-5-10(8-9)14(11)12/h6-7,9-12,14H,2-5,8H2,1H3": [
"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:44153588"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(=O)OC1C=CC2C1C3CCC2C3"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"3-tricyclo[5.2.1.02,6]dec-4-enyl butanoate",
"butanoic acid 3-tricyclo[5.2.1.02,6]dec-4-enyl ester",
"butyric acid 3-tricyclo[5.2.1.02,6]dec-4-enyl ester"
],
"attested_by": {
"3-tricyclo[5.2.1.02,6]dec-4-enyl butanoate": [
"enrich_references.pubchem_semantic"
],
"butanoic acid 3-tricyclo[5.2.1.02,6]dec-4-enyl ester": [
"enrich_references.pubchem_semantic"
],
"butyric acid 3-tricyclo[5.2.1.02,6]dec-4-enyl ester": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:44153588"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
220.312
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(=O)OC1C=CC2C1C3CCC2C3"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(=O)OC1C=CC2C1C3CCC2C3"
]
}
],
"attested_by": {
"220.312": [
"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": [
220.14633
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(=O)OC1C=CC2C1C3CCC2C3"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(=O)OC1C=CC2C1C3CCC2C3"
]
}
],
"attested_by": {
"220.14633": [
"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=J3.781.770H",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:44153588;CAS:113889-23-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[113889-23-9]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.166.722",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:44153588;CAS:113889-23-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[113889-23-9]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=113889-23-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"113889-23-9"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/44153588",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:44153588;CAS:113889-23-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[113889-23-9]"
}
}
],
"prefLabel": [
{
"@value": "Reaction Mass Of 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-5-yl Butyrate And 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-6-yl Butyrate",
"@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": "2a3aa834-ce84-4167-a6ef-93e1c883aaca",
"identifier": "2a3aa834-ce84-4167-a6ef-93e1c883aaca",
"source": "EF 3.1",
"cas_numbers": [
"113889-23-9"
],
"ec_numbers": [
"441-420-8"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Surface water"
},
"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": 10639.0
},
{
"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": 4.0293e-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": 4.0293e-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": 10639.0
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-suwa",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-563c28c30a37ffc3",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/2a3aa834-ce84-4167-a6ef-93e1c883aaca",
"skos:prefLabel": "reaction mass of 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-5-yl butyrate and 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-6-yl butyrate",
"context": "Emissions/Emissions to water/Emissions to fresh water",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/2a3aa834-ce84-4167-a6ef-93e1c883aaca"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/2a3aa834-ce84-4167-a6ef-93e1c883aaca"
},
"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": "dedupe_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"113889-23-9": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "reaction mass of 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-5-yl butyrate and 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-6-yl butyrate",
"synonyms": [
"organic",
"cyclobutanate",
"nectarateâ?¢"
],
"context": [
"Emissions",
"Emissions to water",
"Emissions to fresh water"
],
"cas_numbers": [
"113889-23-9"
],
"ec_numbers": [
"441-420-8"
],
"unit": "kg"
}
}