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Butyl Isothiocyanate

UUID 5ea1035d-f5fc-4ef5-9adc-4d2cb7ce0a6c
Flow Object IDfo-f18b68b8228d6e4b
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 592-82-5
EC Numbers 209-770-4
prefLabel
Language Value Provenance
en Butyl Isothiocyanate
altLabel ⓘ
Language Value Provenance
en 1-isothiocyanatobutane
en BITC
en BuNCS
en Butylsenfoel
en butyl mustard oil
en isothiocyanic acid n-butyl ester
en isothiocyanic acid, butyl ester
en n-butyl isothiocyanate
en <em>n</em>-Butyl isothiocyanate
en Butane, 1-isothiocyanato-
en NSC 194808
Definitions
Language Value Provenance
en An isothiocyanate having a butyl group attached to the nitrogen.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey LIMQQADUEULBSO-UHFFFAOYSA-N
InChI InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3
IUPAC name 1-isothiocyanatobutane
Molecular formula C5H9NS
Molecular mass 115.201
Monoisotopic mass 115.04557
SMILES CCCCN=C=S

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 5ea1035d-f5fc-4ef5-9adc-4d2cb7ce0a6c butyl isothiocyanate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 butyl isothiocyanate Emissions/Emissions to water/Emissions to fresh water 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=butylisothiocyanate||dimension=Environmental > media=Air > strata=Unknown; cas=592-82-5; added Common Chemistry CAS names as altLabel: <em>n</em>-Butyl isothiocyanate, Butane, 1-isothiocyanato-, NSC 194808; object_uuid=fo-f18b68b8228d6e4b
cas_match_labels 1 — consensus_match group_key=butylisothiocyanate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'592-82-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f18b68b8228d6e4b: {'592-82-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1-isothiocyanatobutane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-isothiocyanatobutane', 'http://purl.obolibrary.org/obo/CHEBI_50534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'BITC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:BITC', 'http://purl.obolibrary.org/obo/CHEBI_50534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'BuNCS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:BuNCS', 'http://purl.obolibrary.org/obo/CHEBI_50534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Butylsenfoel', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Butylsenfoel', 'http://purl.obolibrary.org/obo/CHEBI_50534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'butyl mustard oil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:butyl mustard oil', 'http://purl.obolibrary.org/obo/CHEBI_50534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isothiocyanic acid n-butyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isothiocyanic acid n-butyl ester', 'http://purl.obolibrary.org/obo/CHEBI_50534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isothiocyanic acid, butyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isothiocyanic acid, butyl ester', 'http://purl.obolibrary.org/obo/CHEBI_50534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'n-butyl isothiocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:n-butyl isothiocyanate', 'http://purl.obolibrary.org/obo/CHEBI_50534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1-isothiocyanatobutane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-isothiocyanatobutane', 'http://purl.obolibrary.org/obo/CHEBI_50534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'BITC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:BITC', 'http://purl.obolibrary.org/obo/CHEBI_50534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'BuNCS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:BuNCS', 'http://purl.obolibrary.org/obo/CHEBI_50534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Butylsenfoel', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Butylsenfoel', 'http://purl.obolibrary.org/obo/CHEBI_50534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'butyl mustard oil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:butyl mustard oil', 'http://purl.obolibrary.org/obo/CHEBI_50534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isothiocyanic acid n-butyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isothiocyanic acid n-butyl ester', 'http://purl.obolibrary.org/obo/CHEBI_50534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isothiocyanic acid, butyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isothiocyanic acid, butyl ester', 'http://purl.obolibrary.org/obo/CHEBI_50534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'n-butyl isothiocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:n-butyl isothiocyanate', 'http://purl.obolibrary.org/obo/CHEBI_50534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '<em>n</em>-Butyl isothiocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:592-82-5', 'https://commonchemistry.cas.org/detail?cas_rn=592-82-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butane, 1-isothiocyanato-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:592-82-5', 'https://commonchemistry.cas.org/detail?cas_rn=592-82-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 194808', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:592-82-5', 'https://commonchemistry.cas.org/detail?cas_rn=592-82-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=butylisothiocyanate||dimension=Environmental > media=Air > strata=Unknown; cas=592-82-5; added Common Chemistry CAS names as altLabel: <em>n</em>-Butyl isothiocyanate, Butane, 1-isothiocyanato-, NSC 194808; object_uuid=fo-f18b68b8228d6e4b
cas_match_labels None {'592-82-5': 'exactMatch'} group_key=butylisothiocyanate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'592-82-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f18b68b8228d6e4b: {'592-82-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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