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Phenethyl Isothiocyanate

UUID 35366883-4196-429b-a70c-770c89496866
Flow Object IDfo-9716f8fa13d60b35
Source EF 3.1
Context Environmental → Air → High stack, >150 meters
CAS Numbers 2257-09-2
EC Numbers 218-855-5
prefLabel
Language Value Provenance
en Phenethyl Isothiocyanate
altLabel ⓘ
Language Value Provenance
en (2-Isothiocyanatoethyl)benzene
en 2-Phenylethyl isothiocyanate
en PEITC
en Phenethyl mustard oil
en Phenylaethylsenfoel
en Phenylethyl isothiocyanate
en beta-phenethyl isothiocyanate
en beta-phenylethyl isothiocyanate
en 1-(2-Isothiocyanatoethyl)benzene
en Benzene, (2-isothiocyanatoethyl)-
en Isothiocyanic acid, phenethyl ester
en JC 5411
en NSC 87868
en Phenylethyl mustard oil
en β-Phenethyl isothiocyanate
en β-Phenylethyl isothiocyanate
Definitions
Language Value Provenance
en An isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey IZJDOKYDEWTZSO-UHFFFAOYSA-N
InChI InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
IUPAC name 2-isothiocyanatoethylbenzene
Molecular formula C9H9NS
Molecular mass 163.245
Monoisotopic mass 163.04557
SMILES C1=CC=C(C=C1)CCN=C=S, S=C=NCCc1ccccc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 35366883-4196-429b-a70c-770c89496866 phenethyl isothiocyanate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 phenethyl isothiocyanate Emissions/Emissions to air/Emissions to non-urban air or from high stacks 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=phenethylisothiocyanate||dimension=Environmental > media=Air > indoor=Unknown; cas=2257-09-2; added Common Chemistry CAS names as altLabel: 1-(2-Isothiocyanatoethyl)benzene, Benzene, (2-isothiocyanatoethyl)-, Isothiocyanic acid, phenethyl ester, JC 5411, NSC 87868, Phenylethyl mustard oil, β-Phenethyl isothiocyanate, β-Phenylethyl isothiocyanate; object_uuid=fo-9716f8fa13d60b35
cas_match_labels 1 — consensus_match group_key=phenethylisothiocyanate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2257-09-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9716f8fa13d60b35: {'2257-09-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataHigh stack, >150 meters

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(2-Isothiocyanatoethyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2-Isothiocyanatoethyl)benzene', 'http://purl.obolibrary.org/obo/CHEBI_351346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Phenylethyl isothiocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Phenylethyl isothiocyanate', 'http://purl.obolibrary.org/obo/CHEBI_351346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PEITC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PEITC', 'http://purl.obolibrary.org/obo/CHEBI_351346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenethyl mustard oil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenethyl mustard oil', 'http://purl.obolibrary.org/obo/CHEBI_351346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenylaethylsenfoel', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenylaethylsenfoel', 'http://purl.obolibrary.org/obo/CHEBI_351346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenylethyl isothiocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenylethyl isothiocyanate', 'http://purl.obolibrary.org/obo/CHEBI_351346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-phenethyl isothiocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-phenethyl isothiocyanate', 'http://purl.obolibrary.org/obo/CHEBI_351346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-phenylethyl isothiocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-phenylethyl isothiocyanate', 'http://purl.obolibrary.org/obo/CHEBI_351346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(2-Isothiocyanatoethyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2-Isothiocyanatoethyl)benzene', 'http://purl.obolibrary.org/obo/CHEBI_351346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Phenylethyl isothiocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Phenylethyl isothiocyanate', 'http://purl.obolibrary.org/obo/CHEBI_351346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PEITC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PEITC', 'http://purl.obolibrary.org/obo/CHEBI_351346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenethyl mustard oil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenethyl mustard oil', 'http://purl.obolibrary.org/obo/CHEBI_351346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenylaethylsenfoel', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenylaethylsenfoel', 'http://purl.obolibrary.org/obo/CHEBI_351346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenylethyl isothiocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenylethyl isothiocyanate', 'http://purl.obolibrary.org/obo/CHEBI_351346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-phenethyl isothiocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-phenethyl isothiocyanate', 'http://purl.obolibrary.org/obo/CHEBI_351346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-phenylethyl isothiocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-phenylethyl isothiocyanate', 'http://purl.obolibrary.org/obo/CHEBI_351346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(2-Isothiocyanatoethyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2257-09-2', 'https://commonchemistry.cas.org/detail?cas_rn=2257-09-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzene, (2-isothiocyanatoethyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2257-09-2', 'https://commonchemistry.cas.org/detail?cas_rn=2257-09-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isothiocyanic acid, phenethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2257-09-2', 'https://commonchemistry.cas.org/detail?cas_rn=2257-09-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'JC 5411', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2257-09-2', 'https://commonchemistry.cas.org/detail?cas_rn=2257-09-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 87868', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2257-09-2', 'https://commonchemistry.cas.org/detail?cas_rn=2257-09-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenylethyl mustard oil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2257-09-2', 'https://commonchemistry.cas.org/detail?cas_rn=2257-09-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'β-Phenethyl isothiocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2257-09-2', 'https://commonchemistry.cas.org/detail?cas_rn=2257-09-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'β-Phenylethyl isothiocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2257-09-2', 'https://commonchemistry.cas.org/detail?cas_rn=2257-09-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=phenethylisothiocyanate||dimension=Environmental > media=Air > indoor=Unknown; cas=2257-09-2; added Common Chemistry CAS names as altLabel: 1-(2-Isothiocyanatoethyl)benzene, Benzene, (2-isothiocyanatoethyl)-, Isothiocyanic acid, phenethyl ester, JC 5411, NSC 87868, Phenylethyl mustard oil, β-Phenethyl isothiocyanate, β-Phenylethyl isothiocyanate; object_uuid=fo-9716f8fa13d60b35
cas_match_labels None {'2257-09-2': 'exactMatch'} group_key=phenethylisothiocyanate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2257-09-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9716f8fa13d60b35: {'2257-09-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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