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Benzyl-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-diethyl-ammonium;benzoate

UUID d062400c-d3ee-4206-a7e3-453ea33c8730
Flow Object IDfo-3ea050a6a02c5da8
Source EF 3.1
Context Environmental → Air → High stack, >150 meters
CAS Numbers 3734-33-6
EC Numbers 223-095-2
prefLabel
Language Value Provenance
en Benzyl-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-diethyl-ammonium;benzoate
altLabel ⓘ
Language Value Provenance
en <em>N</em>-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-<em>N</em>,<em>N</em>-diethyl(phenylmethyl)ammonium benzoate
en Ammonium, benzyldiethyl[(2,6-xylylcarbamoyl)methyl]-, benzoate
en Anispray
en Aversion
en Benzenemethanaminium, <em>N</em>-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-<em>N</em>,<em>N</em>-diethyl-, benzoate
en Benzenemethanaminium, <em>N</em>-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-<em>N</em>,<em>N</em>-diethyl-, benzoate (1:1)
en Benzyldiethyl[(2,6-xylylcarbamoyl)methyl]ammonium benzoate
en Bitrex
en Bitterant Bitrex PG
en ECX 95BY
en Gori
en Lignocaine benzyl benzoate
en NSC 157658
en THS 839
en Win 16568
en Denatonium Benzoate
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey VWTINHYPRWEBQY-UHFFFAOYSA-N
InChI InChI=1S/C21H28N2O.C7H6O2/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9)
IUPAC name benzoic acid;2-[benzyl(diethyl)ammonio]-N-(2,6-dimethylphenyl)acetimidate, benzoic acid;2-[benzyl(diethyl)ammonio]-N-(2,6-dimethylphenyl)ethanimidate, benzoic acid;2-[benzyl(diethyl)azaniumyl]-N-(2,6-dimethylphenyl)ethanimidate, benzoic acid;2-[diethyl-(phenylmethyl)ammonio]-N-(2,6-dimethylphenyl)ethanimidate, benzoic acid;2-[diethyl-(phenylmethyl)azaniumyl]-N-(2,6-dimethylphenyl)ethanimidate
Molecular formula C21H28N2O.C7H6O2, C28H34N2O3
Molecular mass 446.591
Monoisotopic mass 446.25694
SMILES CC[N+](CC)(C/C([O-])=N/c1c(C)cccc1C)Cc1ccccc1.O=C(O)c1ccccc1, CC[N+](CC)(CC1=CC=CC=C1)CC(=NC2=C(C=CC=C2C)C)[O-].C1=CC=C(C=C1)C(=O)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 d062400c-d3ee-4206-a7e3-453ea33c8730 denatonium benzoate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 denatonium benzoate 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=denatoniumbenzoate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=3734-33-6; added Common Chemistry CAS names as altLabel: <em>N</em>-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-<em>N</em>,<em>N</em>-diethyl(phenylmethyl)ammonium benzoate, Ammonium, benzyldiethyl[(2,6-xylylcarbamoyl)methyl]-, benzoate, Anispray, Aversion, Benzenemethanaminium, <em>N</em>-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-<em>N</em>,<em>N</em>-diethyl-, benzoate, Benzenemethanaminium, <em>N</em>-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-<em>N</em>,<em>N</em>-diethyl-, benzoate (1:1), Benzyldiethyl[(2,6-xylylcarbamoyl)methyl]ammonium benzoate, Bitrex, Bitterant Bitrex PG, ECX 95BY, Gori, Lignocaine benzyl benzoate, NSC 157658, THS 839, Win 16568; object_uuid=fo-3ea050a6a02c5da8
cas_match_labels 1 — consensus_match group_key=denatoniumbenzoate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3734-33-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3ea050a6a02c5da8: {'3734-33-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataHigh stack, >150 meters

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '<em>N</em>-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-<em>N</em>,<em>N</em>-diethyl(phenylmethyl)ammonium benzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3734-33-6', 'https://commonchemistry.cas.org/detail?cas_rn=3734-33-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ammonium, benzyldiethyl[(2,6-xylylcarbamoyl)methyl]-, benzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3734-33-6', 'https://commonchemistry.cas.org/detail?cas_rn=3734-33-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Anispray', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3734-33-6', 'https://commonchemistry.cas.org/detail?cas_rn=3734-33-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Aversion', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3734-33-6', 'https://commonchemistry.cas.org/detail?cas_rn=3734-33-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenemethanaminium, <em>N</em>-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-<em>N</em>,<em>N</em>-diethyl-, benzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3734-33-6', 'https://commonchemistry.cas.org/detail?cas_rn=3734-33-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenemethanaminium, <em>N</em>-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-<em>N</em>,<em>N</em>-diethyl-, benzoate (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3734-33-6', 'https://commonchemistry.cas.org/detail?cas_rn=3734-33-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzyldiethyl[(2,6-xylylcarbamoyl)methyl]ammonium benzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3734-33-6', 'https://commonchemistry.cas.org/detail?cas_rn=3734-33-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bitrex', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3734-33-6', 'https://commonchemistry.cas.org/detail?cas_rn=3734-33-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bitterant Bitrex PG', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3734-33-6', 'https://commonchemistry.cas.org/detail?cas_rn=3734-33-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ECX 95BY', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3734-33-6', 'https://commonchemistry.cas.org/detail?cas_rn=3734-33-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Gori', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3734-33-6', 'https://commonchemistry.cas.org/detail?cas_rn=3734-33-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Lignocaine benzyl benzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3734-33-6', 'https://commonchemistry.cas.org/detail?cas_rn=3734-33-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 157658', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3734-33-6', 'https://commonchemistry.cas.org/detail?cas_rn=3734-33-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'THS 839', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3734-33-6', 'https://commonchemistry.cas.org/detail?cas_rn=3734-33-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Win 16568', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3734-33-6', 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cas_match_labels None {'3734-33-6': 'exactMatch'} group_key=denatoniumbenzoate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3734-33-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3ea050a6a02c5da8: {'3734-33-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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