dodecyl benzoate

← Back to consensus flows

UUID 9b1a8f7e-4a99-4990-a183-bd619704a015

Flow Object ID fo-509b72e05afa9b1d

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

CAS Numbers 68411-27-8

EC Numbers 270-112-4

prefLabel ⓘ

Language	Value	Provenance
`en`	`dodecyl benzoate`

altLabel ⓘ

Language	Value	Provenance
`en`	`Benzoic acid, C<sub>12-15</sub>-alkyl esters`

References

Shared Properties

Predicate	Value
InChIKey	`DLAHAXOYRFRPFQ-UHFFFAOYSA-N, QEWJMCDXPTUEBT-UHFFFAOYSA-M`
InChI	`InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3`
IUPAC name	`dodecyl benzoate`
Molecular formula	`C19H30O2, C39H40N3NaO6S2`
Molecular mass	`290.447`
Monoisotopic mass	`290.22458`
SMILES	`CCCCCCCCCCCCOC(=O)c1ccccc1`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`9b1a8f7e-4a99-4990-a183-bd619704a015`	benzoic acid, c12-15-alkyl esters

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	benzoic acid, c12-15-alkyl esters	Emissions/Emissions to air/Emissions to air, unspecified (long-term)	kg	`exactMatch`	—

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=benzoicacid,c12-15-alkylesters\|\|dimension=Environmental > media=Water > water_body=Surface water; cas=68411-27-8; added Common Chemistry CAS names as altLabel: Benzoic acid, C<sub>12-15</sub>-alkyl esters; object_uuid=fo-509b72e05afa9b1d
`cas_match_labels`	1	`—`	consensus_match	group_key=benzoicacid,c12-15-alkylesters\|\|dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'68411-27-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-509b72e05afa9b1d: {'68411-27-8': 'exactMatch'}
`prefLabel`	1	`—`	consensus_match	group_key=benzoicacid,c12-15-alkylesters\|\|dimension=Environmental > media=Water > water_body=Surface water; cas=68411-27-8; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.0323; pubchem_entropy=3.3232; current_score=4.3023; pubchem_score=3.4732; score_improvement=0.8291; threshold=0.400; min_margin=0.400; object_uuid=fo-509b72e05afa9b1d

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`prefLabel`	`[{'@value': 'Benzoic Acid, C12-15-alkyl Esters', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}]`	`[{'@value': 'dodecyl benzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68411-27-8', 'name:dodecyl benzoate', 'https://pubchem.ncbi.nlm.nih.gov/compound/76204'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}]`	group_key=benzoicacid,c12-15-alkylesters\|\|dimension=Environmental > media=Water > water_body=Surface water; cas=68411-27-8; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.0323; pubchem_entropy=3.3232; current_score=4.3023; pubchem_score=3.4732; score_improvement=0.8291; threshold=0.400; min_margin=0.400; object_uuid=fo-509b72e05afa9b1d
`altLabel`	`None`	`[{'@value': 'Benzoic Acid, C12-15-alkyl Esters', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}]`	group_key=benzoicacid,c12-15-alkylesters\|\|dimension=Environmental > media=Water > water_body=Surface water; cas=68411-27-8; added current EF name as altLabel when prefLabel differs; object_uuid=fo-509b72e05afa9b1d
`altLabel`	`[{'@value': 'Benzoic Acid, C12-15-alkyl Esters', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}]`	`[{'@value': 'Benzoic acid, C<sub>12-15</sub>-alkyl esters', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68411-27-8', 'https://commonchemistry.cas.org/detail?cas_rn=68411-27-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]`	group_key=benzoicacid,c12-15-alkylesters\|\|dimension=Environmental > media=Water > water_body=Surface water; cas=68411-27-8; added Common Chemistry CAS names as altLabel: Benzoic acid, C<sub>12-15</sub>-alkyl esters; object_uuid=fo-509b72e05afa9b1d
`cas_match_labels`	`None`	`{'68411-27-8': 'exactMatch'}`	group_key=benzoicacid,c12-15-alkylesters\|\|dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'68411-27-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-509b72e05afa9b1d: {'68411-27-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "uuid": "9b1a8f7e-4a99-4990-a183-bd619704a015",
  "name": null,
  "cas_numbers": [
    "68411-27-8"
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  "ec_numbers": [
    "270-112-4"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Rural (<1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "9b1a8f7e-4a99-4990-a183-bd619704a015",
  "input_datasets": [
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      "source_flow_name": "benzoic acid, c12-15-alkyl esters",
      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to air",
          "Emissions to air, unspecified (long-term)"
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      }
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  "prefLabel": [
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    "unit_iri": "unit_normalization",
    "properties": "rdkit_post_consensus",
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  "properties": {
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