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1,3-benzodioxole-5-carbaldehyde

UUID 7903bfcc-3678-4369-a87b-1509e64ef2f8
Flow Object IDfo-3d8fa3f38f802142
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 120-57-0
EC Numbers 204-409-7
prefLabel
Language Value Provenance
en 1,3-benzodioxole-5-carbaldehyde
altLabel ⓘ
Language Value Provenance
en 1,3-benzodioxole-5-carboxaldehyde
en 3,4-(methylenedioxy)benzaldehyde
en 3,4-dihydroxybenzaldehyde methylene ketal
en 3,4-methylenedioxybenzaldehyde
en 5-formyl-1,3-benzodioxole
en Piperonal
en heliotropin
en heliotropine
en piperonaldehyde
en piperonyl aldehyde
en piperonylaldehyde
en protocatechuic aldehyde methylene ether
en 2<em>H</em>-1,3-Benzodioxole-5-carbaldehyde
en 2<em>H</em>-1,3-Benzodioxole-5-carboxaldehyde
en 2<em>H</em>-Benzo[3,4-<em>d</em>]-1,3-dioxolan-5-ylformaldehyde
en 3,4-Dimethylenedioxybenzaldehyde
en 5-Formyl-1,3-benzodioxolane
en 5-Formylbenzodioxole
en Benzo[1,3]dioxole-5-carbaldehyde
en Benzo[<em>d</em>][1,3]dioxol-5-carboxaldehyde
en Benzo[<em>d</em>][1,3]dioxole-5-carbaldehyde
en Benzo[<em>d</em>][1,3]dioxole-5-carboxaldehyde
en Geliotropin
en NSC 26826
Definitions
Language Value Provenance
en An arenecarbaldehyde that is 1,3-benzodioxole substituted by a formyl substituent at position 5. It has been isolated from Piper nigrum.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey SATCULPHIDQDRE-UHFFFAOYSA-N
InChI InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
IUPAC name 1,3-benzodioxole-5-carbaldehyde, 1,3-benzodioxole-5-carboxaldehyde, piperonal
Molecular formula C8H6O3
Molecular mass 150.133
Monoisotopic mass 150.03169
SMILES C1OC2=C(O1)C=C(C=C2)C=O, [H]C(=O)c1ccc2c(c1)OCO2

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 7903bfcc-3678-4369-a87b-1509e64ef2f8 1,3-benzodioxole-5-carbaldehyde

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1,3-benzodioxole-5-carbaldehyde Emissions/Emissions to air/Emissions to urban air close to ground kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=1,3-benzodioxole-5-carbaldehyde||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=120-57-0; added Common Chemistry CAS names as altLabel: 2<em>H</em>-1,3-Benzodioxole-5-carbaldehyde, 2<em>H</em>-1,3-Benzodioxole-5-carboxaldehyde, 2<em>H</em>-Benzo[3,4-<em>d</em>]-1,3-dioxolan-5-ylformaldehyde, 3,4-Dimethylenedioxybenzaldehyde, 5-Formyl-1,3-benzodioxolane, 5-Formylbenzodioxole, Benzo[1,3]dioxole-5-carbaldehyde, Benzo[<em>d</em>][1,3]dioxol-5-carboxaldehyde, Benzo[<em>d</em>][1,3]dioxole-5-carbaldehyde, Benzo[<em>d</em>][1,3]dioxole-5-carboxaldehyde, Geliotropin, NSC 26826; object_uuid=fo-3d8fa3f38f802142
cas_match_labels 1 — consensus_match group_key=1,3-benzodioxole-5-carbaldehyde||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'120-57-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3d8fa3f38f802142: {'120-57-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1,3-benzodioxole-5-carboxaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-benzodioxole-5-carboxaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,4-(methylenedioxy)benzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,4-(methylenedioxy)benzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,4-dihydroxybenzaldehyde methylene ketal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,4-dihydroxybenzaldehyde methylene ketal', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,4-methylenedioxybenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,4-methylenedioxybenzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-formyl-1,3-benzodioxole', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-formyl-1,3-benzodioxole', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Piperonal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Piperonal', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'heliotropin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:heliotropin', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'heliotropine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:heliotropine', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'piperonaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:piperonaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'piperonyl aldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:piperonyl aldehyde', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'piperonylaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:piperonylaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'protocatechuic aldehyde methylene ether', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:protocatechuic aldehyde methylene ether', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1,3-benzodioxole-5-carboxaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-benzodioxole-5-carboxaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,4-(methylenedioxy)benzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,4-(methylenedioxy)benzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,4-dihydroxybenzaldehyde methylene ketal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,4-dihydroxybenzaldehyde methylene ketal', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,4-methylenedioxybenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,4-methylenedioxybenzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-formyl-1,3-benzodioxole', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-formyl-1,3-benzodioxole', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Piperonal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Piperonal', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'heliotropin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:heliotropin', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'heliotropine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:heliotropine', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'piperonaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:piperonaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'piperonyl aldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:piperonyl aldehyde', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'piperonylaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:piperonylaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'protocatechuic aldehyde methylene ether', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:protocatechuic aldehyde methylene ether', 'http://purl.obolibrary.org/obo/CHEBI_8240', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2<em>H</em>-1,3-Benzodioxole-5-carbaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:120-57-0', 'https://commonchemistry.cas.org/detail?cas_rn=120-57-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2<em>H</em>-1,3-Benzodioxole-5-carboxaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:120-57-0', 'https://commonchemistry.cas.org/detail?cas_rn=120-57-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2<em>H</em>-Benzo[3,4-<em>d</em>]-1,3-dioxolan-5-ylformaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:120-57-0', 'https://commonchemistry.cas.org/detail?cas_rn=120-57-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,4-Dimethylenedioxybenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:120-57-0', 'https://commonchemistry.cas.org/detail?cas_rn=120-57-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Formyl-1,3-benzodioxolane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:120-57-0', 'https://commonchemistry.cas.org/detail?cas_rn=120-57-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Formylbenzodioxole', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:120-57-0', 'https://commonchemistry.cas.org/detail?cas_rn=120-57-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzo[1,3]dioxole-5-carbaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:120-57-0', 'https://commonchemistry.cas.org/detail?cas_rn=120-57-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzo[<em>d</em>][1,3]dioxol-5-carboxaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:120-57-0', 'https://commonchemistry.cas.org/detail?cas_rn=120-57-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzo[<em>d</em>][1,3]dioxole-5-carbaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:120-57-0', 'https://commonchemistry.cas.org/detail?cas_rn=120-57-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzo[<em>d</em>][1,3]dioxole-5-carboxaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:120-57-0', 'https://commonchemistry.cas.org/detail?cas_rn=120-57-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Geliotropin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:120-57-0', 'https://commonchemistry.cas.org/detail?cas_rn=120-57-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 26826', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:120-57-0', 'https://commonchemistry.cas.org/detail?cas_rn=120-57-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1,3-benzodioxole-5-carbaldehyde||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=120-57-0; added Common Chemistry CAS names as altLabel: 2<em>H</em>-1,3-Benzodioxole-5-carbaldehyde, 2<em>H</em>-1,3-Benzodioxole-5-carboxaldehyde, 2<em>H</em>-Benzo[3,4-<em>d</em>]-1,3-dioxolan-5-ylformaldehyde, 3,4-Dimethylenedioxybenzaldehyde, 5-Formyl-1,3-benzodioxolane, 5-Formylbenzodioxole, Benzo[1,3]dioxole-5-carbaldehyde, Benzo[<em>d</em>][1,3]dioxol-5-carboxaldehyde, Benzo[<em>d</em>][1,3]dioxole-5-carbaldehyde, Benzo[<em>d</em>][1,3]dioxole-5-carboxaldehyde, Geliotropin, NSC 26826; object_uuid=fo-3d8fa3f38f802142
cas_match_labels None {'120-57-0': 'exactMatch'} group_key=1,3-benzodioxole-5-carbaldehyde||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'120-57-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3d8fa3f38f802142: {'120-57-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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  "general_comment": null,
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      "characterization_factor": 176.83
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      "methodology": "Environmental Footprint",
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      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 1.1477e-7
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      "rdfs:label": "Molecular formula",
      "provenance": [
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