Benzyl Thiocyanate

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UUID fa7388d7-aa8d-4ae2-88fa-dadbc3d89e14

Flow Object ID fo-415d2eb75d24ac28

Source EF 3.1

Context Environmental → Air → Ground level → Urban (>1000 people/square mile)

CAS Numbers 3012-37-1

EC Numbers 221-144-2

prefLabel

Language	Value	Provenance
`en`	`Benzyl Thiocyanate`

altLabel ⓘ

Language	Value	Provenance
`en`	`Solvat 14`
`en`	`Thiocyanic acid benzyl ester`
`en`	`Thiocyanic acid, phenylmethyl ester`
`en`	`Tropeolin`
`en`	`alpha-Thiocyanatotoluene`
`en`	`(Thiocyanatomethyl)benzene`
`en`	`NSC 130266`
`en`	`NSC 1729`
`en`	`Thiocyanic acid, benzyl ester`
`en`	`α-Thiocyanatotoluene`

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`ABNDFSOIUFLJAH-UHFFFAOYSA-N`
InChI	`InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2`
IUPAC name	`(phenylmethyl) thiocyanate, benzyl thiocyanate, thiocyanic acid (phenylmethyl) ester, thiocyanic acid benzyl ester`
Molecular formula	`C8H7NS`
Molecular mass	`149.218`
Monoisotopic mass	`149.02992`
SMILES	`C1=CC=C(C=C1)CSC#N, N#CSCc1ccccc1`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`fa7388d7-aa8d-4ae2-88fa-dadbc3d89e14`	benzyl thiocyanate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	benzyl thiocyanate	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=benzylthiocyanate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=3012-37-1; added Common Chemistry CAS names as altLabel: (Thiocyanatomethyl)benzene, NSC 130266, NSC 1729, Thiocyanic acid, benzyl ester, α-Thiocyanatotoluene; object_uuid=fo-415d2eb75d24ac28
`cas_match_labels`	1	`—`	consensus_match	group_key=benzylthiocyanate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3012-37-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-415d2eb75d24ac28: {'3012-37-1': 'exactMatch'}

Context Attributes

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

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	[{'@value': 'Solvat 14', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Solvat 14', 'http://purl.obolibrary.org/obo/CHEBI_16017', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Thiocyanic acid benzyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Thiocyanic acid benzyl ester', 'http://purl.obolibrary.org/obo/CHEBI_16017', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Thiocyanic acid, phenylmethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Thiocyanic acid, phenylmethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_16017', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Tropeolin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Tropeolin', 'http://purl.obolibrary.org/obo/CHEBI_16017', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-Thiocyanatotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-Thiocyanatotoluene', 'http://purl.obolibrary.org/obo/CHEBI_16017', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]	[{'@value': 'Solvat 14', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Solvat 14', 'http://purl.obolibrary.org/obo/CHEBI_16017', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Thiocyanic acid benzyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Thiocyanic acid benzyl ester', 'http://purl.obolibrary.org/obo/CHEBI_16017', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Thiocyanic acid, phenylmethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Thiocyanic acid, phenylmethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_16017', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Tropeolin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Tropeolin', 'http://purl.obolibrary.org/obo/CHEBI_16017', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-Thiocyanatotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-Thiocyanatotoluene', 'http://purl.obolibrary.org/obo/CHEBI_16017', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(Thiocyanatomethyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3012-37-1', 'https://commonchemistry.cas.org/detail?cas_rn=3012-37-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 130266', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3012-37-1', 'https://commonchemistry.cas.org/detail?cas_rn=3012-37-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 1729', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3012-37-1', 'https://commonchemistry.cas.org/detail?cas_rn=3012-37-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Thiocyanic acid, benzyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3012-37-1', 'https://commonchemistry.cas.org/detail?cas_rn=3012-37-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Thiocyanatotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3012-37-1', 'https://commonchemistry.cas.org/detail?cas_rn=3012-37-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=benzylthiocyanate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=3012-37-1; added Common Chemistry CAS names as altLabel: (Thiocyanatomethyl)benzene, NSC 130266, NSC 1729, Thiocyanic acid, benzyl ester, α-Thiocyanatotoluene; object_uuid=fo-415d2eb75d24ac28
`cas_match_labels`	`None`	`{'3012-37-1': 'exactMatch'}`	group_key=benzylthiocyanate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3012-37-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-415d2eb75d24ac28: {'3012-37-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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