Flubendiamide
| UUID | f6bc8856-62b4-4ee5-a9da-b8bcdfb1223b | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Deprecated | yes | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Replaced By | 28cc1481-982b-477b-88fd-dda4725d453d |
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| Flow Object ID | fo-06fe8aeee60a87bb | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Source | EF 3.1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Context | Environmental → Ground → Unknown | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Numbers |
272451-65-7
|
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| EC Numbers |
608-064-7
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| prefLabel ⓘ |
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| altLabel ⓘ |
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| References |
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| Shared Properties |
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Source List References
| List | Version | Source Flow UUID | Source Flow Name |
|---|---|---|---|
| EF | 3.1 | f6bc8856-62b4-4ee5-a9da-b8bcdfb1223b |
1-n-[4-(heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-n-(1-methanesulfonyl-2-methylpropan-2-yl)benzene-1,2-dicarboxamide |
Consolidated Field Provenance
0 total PROV activity record(s) for this flow.
| Field | Change Count | Latest Time | Transformers | Latest Comment |
|---|---|---|---|---|
altLabel |
2 | — |
consensus_match | group_key=1-n-[4-(heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-n-(1-methanesulfonyl-2-methylpropan-2-yl)benzene-1,2-dicarboxamide||dimension=Environmental > media=Water > water_body=Unknown; cas=272451-65-7; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxamide, <em>N</em><sup>2</sup>-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-<em>N</em><sup>1</sup>-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-, 3-Iodo-N2-(2-methyl-1-(methylsulfonyl)propan-2-yl)-N1-(2-methyl-4-(perfluoropropan-2-yl)phenyl)phthalamide, <em>N</em><sup>2</sup>-[1,1-Dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-<em>N</em><sup>1</sup>-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-1,2-benzenedicarboxamide, Belt, Belt 480SC, Fame, Fame (insecticide), Fenos, NNI 0001, Phoenix, Phoenix (diamide insecticide), RIL 038, Synapse, Synapse (insecticide), Takumi, Takumi (insecticide); object_uuid=fo-06fe8aeee60a87bb |
cas_match_labels |
1 | — |
consensus_match | group_key=1-n-[4-(heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-n-(1-methanesulfonyl-2-methylpropan-2-yl)benzene-1,2-dicarboxamide||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi']; cas_sources={'272451-65-7': ['chebi']}; assigned CAS labels from group consensus; object_uuid=fo-06fe8aeee60a87bb: {'272451-65-7': 'exactMatch'} |
prefLabel |
1 | — |
consensus_match | cas=272451-65-7; cc_chebi_agreed_name='Flubendiamide'; object_uuid=fo-06fe8aeee60a87bb |
Context Attributes
| Attribute | Value |
|---|---|
| dimension | Environmental |
| media | Ground |
| geography | Unknown |
Consensus Changes
| Field | Old Value | New Value | Comment |
|---|---|---|---|
prefLabel |
[{'@value': '1-n-[4-(heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-n-(1-methanesulfonyl-2-methylpropan-2-yl)benzene-1,2-dicarboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] |
[{'@value': 'Flubendiamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:272451-65-7'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] |
cas=272451-65-7; cc_chebi_agreed_name='Flubendiamide'; object_uuid=fo-06fe8aeee60a87bb |
altLabel |
[{'@value': 'N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}benzene-1,2-dicarboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}benzene-1,2-dicarboxamide', 'http://purl.obolibrary.org/obo/CHEBI_38798', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}phthalamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}phthalamide', 'http://purl.obolibrary.org/obo/CHEBI_38798', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'flubendiamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:flubendiamide', 'http://purl.obolibrary.org/obo/CHEBI_38798', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] |
[{'@value': 'N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}benzene-1,2-dicarboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}benzene-1,2-dicarboxamide', 'http://purl.obolibrary.org/obo/CHEBI_38798', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}phthalamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}phthalamide', 'http://purl.obolibrary.org/obo/CHEBI_38798', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-n-[4-(heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-n-(1-methanesulfonyl-2-methylpropan-2-yl)benzene-1,2-dicarboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] |
cas=272451-65-7; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-06fe8aeee60a87bb |
altLabel |
[{'@value': 'N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}benzene-1,2-dicarboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}benzene-1,2-dicarboxamide', 'http://purl.obolibrary.org/obo/CHEBI_38798', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}phthalamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}phthalamide', 'http://purl.obolibrary.org/obo/CHEBI_38798', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-n-[4-(heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-n-(1-methanesulfonyl-2-methylpropan-2-yl)benzene-1,2-dicarboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] |
[{'@value': 'N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}benzene-1,2-dicarboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}benzene-1,2-dicarboxamide', 'http://purl.obolibrary.org/obo/CHEBI_38798', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}phthalamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}phthalamide', 'http://purl.obolibrary.org/obo/CHEBI_38798', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2-Benzenedicarboxamide, <em>N</em><sup>2</sup>-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-<em>N</em><sup>1</sup>-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:272451-65-7', 'https://commonchemistry.cas.org/detail?cas_rn=272451-65-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Iodo-N2-(2-methyl-1-(methylsulfonyl)propan-2-yl)-N1-(2-methyl-4-(perfluoropropan-2-yl)phenyl)phthalamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:272451-65-7', 'https://commonchemistry.cas.org/detail?cas_rn=272451-65-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em><sup>2</sup>-[1,1-Dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-<em>N</em><sup>1</sup>-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-1,2-benzenedicarboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:272451-65-7', 'https://commonchemistry.cas.org/detail?cas_rn=272451-65-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Belt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:272451-65-7', 'https://commonchemistry.cas.org/detail?cas_rn=272451-65-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Belt 480SC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:272451-65-7', 'https://commonchemistry.cas.org/detail?cas_rn=272451-65-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fame', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:272451-65-7', 'https://commonchemistry.cas.org/detail?cas_rn=272451-65-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fame (insecticide)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:272451-65-7', 'https://commonchemistry.cas.org/detail?cas_rn=272451-65-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fenos', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:272451-65-7', 'https://commonchemistry.cas.org/detail?cas_rn=272451-65-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NNI 0001', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:272451-65-7', 'https://commonchemistry.cas.org/detail?cas_rn=272451-65-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phoenix', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:272451-65-7', 'https://commonchemistry.cas.org/detail?cas_rn=272451-65-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phoenix (diamide insecticide)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:272451-65-7', 'https://commonchemistry.cas.org/detail?cas_rn=272451-65-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'RIL 038', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:272451-65-7', 'https://commonchemistry.cas.org/detail?cas_rn=272451-65-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Synapse', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:272451-65-7', 'https://commonchemistry.cas.org/detail?cas_rn=272451-65-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Synapse (insecticide)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:272451-65-7', 'https://commonchemistry.cas.org/detail?cas_rn=272451-65-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Takumi', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:272451-65-7', 'https://commonchemistry.cas.org/detail?cas_rn=272451-65-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Takumi (insecticide)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:272451-65-7', 'https://commonchemistry.cas.org/detail?cas_rn=272451-65-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] |
group_key=1-n-[4-(heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-n-(1-methanesulfonyl-2-methylpropan-2-yl)benzene-1,2-dicarboxamide||dimension=Environmental > media=Water > water_body=Unknown; cas=272451-65-7; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxamide, <em>N</em><sup>2</sup>-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-<em>N</em><sup>1</sup>-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-, 3-Iodo-N2-(2-methyl-1-(methylsulfonyl)propan-2-yl)-N1-(2-methyl-4-(perfluoropropan-2-yl)phenyl)phthalamide, <em>N</em><sup>2</sup>-[1,1-Dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-<em>N</em><sup>1</sup>-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-1,2-benzenedicarboxamide, Belt, Belt 480SC, Fame, Fame (insecticide), Fenos, NNI 0001, Phoenix, Phoenix (diamide insecticide), RIL 038, Synapse, Synapse (insecticide), Takumi, Takumi (insecticide); object_uuid=fo-06fe8aeee60a87bb |
cas_match_labels |
None |
{'272451-65-7': 'exactMatch'} |
group_key=1-n-[4-(heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-n-(1-methanesulfonyl-2-methylpropan-2-yl)benzene-1,2-dicarboxamide||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi']; cas_sources={'272451-65-7': ['chebi']}; assigned CAS labels from group consensus; object_uuid=fo-06fe8aeee60a87bb: {'272451-65-7': 'exactMatch'} |
PROV-O Consensus Activity Trail
No PROV-O consensus activities found for this flow.
Full Flow JSON
{
"uuid": "f6bc8856-62b4-4ee5-a9da-b8bcdfb1223b",
"name": null,
"cas_numbers": [
"272451-65-7"
],
"ec_numbers": [
"608-064-7"
],
"context": {
"dimension": "Environmental",
"media": "Ground",
"geography": "Unknown"
},
"general_comment": null,
"synonyms": [],
"unit": "kg",
"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": 58713.0
},
{
"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": 8.6137e-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": 8.6137e-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": 58713.0
}
],
"source": "EF 3.1",
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"source_metadata": {
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"input_dataset": "EF 3.1",
"original_context": [
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"Emissions to soil",
"Emissions to non-agricultural soil"
]
}
}
],
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"@value": [
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],
"rdfs:label": "Molecular formula",
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