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Potassium [(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate

UUID 9eef38b7-8ed7-4b6d-8635-08a2abc79a8a
Flow Object IDfo-129e139ac4128809
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 961-69-3
EC Numbers 213-510-5
prefLabel
Language Value Provenance
en Potassium [(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate
altLabel
Language Value Provenance
en Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, potassium salt (1:1), (α<em>R</em>)-
en Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (<em>R</em>)-
en Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (α<em>R</em>)-
en Crotonic acid, 3-[(α-carboxybenzyl)amino]-, 1-ethyl ester, monopotassium salt, <span class="text-smallcaps">D</span>-(-)-
en Potassium <span class="text-smallcaps">D</span>-(1-ethoxycarbonylpropen-2-yl)-α-aminophenylacetate
References
Shared Properties
Predicate Value
InChIKey HWZMIXRSXILFMS-BTQNPOSSSA-N, HWZMIXRSXILFMS-VMEHJNRZSA-N, NOOLISFMXDJSKH-KXUCPTDWSA-N, QMWWAEFYIXXXQW-BTQNPOSSSA-M, QMWWAEFYIXXXQW-CIONHTPMSA-M, QMWWAEFYIXXXQW-KVVVOXFISA-M, QMWWAEFYIXXXQW-RRABGKBLSA-M, QMWWAEFYIXXXQW-UHFFFAOYSA-M, QMWWAEFYIXXXQW-VMEHJNRZSA-M
InChI InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1, InChI=1S/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);/b10-9+;/t13-;/m1./s1, InChI=1S/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);/q;+1/p-1, InChI=1S/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);/q;+1/p-1/b10-9+;, InChI=1S/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);/q;+1/p-1/b10-9+;/t13-;/m1./s1, InChI=1S/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);/q;+1/p-1/b10-9-;, InChI=1S/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);/q;+1/p-1/b10-9-;/t13-;/m1./s1, InChI=1S/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);/q;+1/p-1/t13-;/m1./s1, InChI=1S/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);/t13-;/m1./s1
IUPAC name (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanol, (1R,2S,5R)-5-methyl-2-propan-2-yl-1-cyclohexanol, (1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-ol, (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol, potassium (2R)-2-[(3-ethoxy-1-methyl-3-oxo-prop-1-enyl)amino]-2-phenyl-acetate, potassium (2R)-2-[(3-ethoxy-3-keto-1-methyl-prop-1-enyl)amino]-2-phenyl-acetate, potassium (2R)-2-[(4-ethoxy-4-oxidanylidene-but-2-en-2-yl)amino]-2-phenyl-ethanoate, potassium (2R)-2-[(4-ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetate, potassium (2R)-2-[[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]amino]-2-phenyl-acetate, potassium (2R)-2-[[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]amino]-2-phenyl-acetate, potassium (2R)-2-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]amino]-2-phenyl-ethanoate, potassium (2R)-2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-phenylacetate, potassium (2R)-2-[[(Z)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]amino]-2-phenyl-acetate, potassium (2R)-2-[[(Z)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]amino]-2-phenyl-acetate, potassium (2R)-2-[[(Z)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]amino]-2-phenyl-ethanoate, potassium (2R)-2-[[(Z)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-phenylacetate, potassium 2-[(3-ethoxy-1-methyl-3-oxo-prop-1-enyl)amino]-2-phenyl-acetate, potassium 2-[(3-ethoxy-3-keto-1-methyl-prop-1-enyl)amino]-2-phenyl-acetate, potassium 2-[(4-ethoxy-4-oxidanylidene-but-2-en-2-yl)amino]-2-phenyl-ethanoate, potassium 2-[(4-ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetate, potassium 2-[[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]amino]-2-phenyl-acetate, potassium 2-[[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]amino]-2-phenyl-acetate, potassium 2-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]amino]-2-phenyl-ethanoate, potassium 2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-phenylacetate, potassium 2-[[(Z)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]amino]-2-phenyl-acetate, potassium 2-[[(Z)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]amino]-2-phenyl-acetate, potassium 2-[[(Z)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]amino]-2-phenyl-ethanoate, potassium 2-[[(Z)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-phenylacetate
Molecular formula C10H20O, C14H16KNO4, C14H17KNO4
SMILES CC1CCC(C(C1)O)C(C)C, CCOC(=O)/C=C(/C)\NC(C1=CC=CC=C1)C(=O)[O-].[K+], CCOC(=O)/C=C(/C)\N[C@H](C1=CC=CC=C1)C(=O)[O-].[K+], CCOC(=O)/C=C(\C)/NC(C1=CC=CC=C1)C(=O)[O-].[K+], CCOC(=O)/C=C(\C)/N[C@H](C1=CC=CC=C1)C(=O)O.[K], CCOC(=O)/C=C(\C)/N[C@H](C1=CC=CC=C1)C(=O)[O-].[K+], CCOC(=O)C=C(C)NC(C1=CC=CC=C1)C(=O)O.[K], CCOC(=O)C=C(C)NC(C1=CC=CC=C1)C(=O)[O-].[K+], CCOC(=O)C=C(C)N[C@H](C1=CC=CC=C1)C(=O)O.[K], CCOC(=O)C=C(C)N[C@H](C1=CC=CC=C1)C(=O)[O-].[K+], C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 9eef38b7-8ed7-4b6d-8635-08a2abc79a8a potassium [(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 potassium [(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate Emissions/Emissions to water/Emissions to sea 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=potassium[(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate||dimension=Environmental > media=Air > indoor=Unknown; cas=961-69-3; added Common Chemistry CAS names as altLabel: Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, potassium salt (1:1), (α<em>R</em>)-, Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (<em>R</em>)-, Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (α<em>R</em>)-, Crotonic acid, 3-[(α-carboxybenzyl)amino]-, 1-ethyl ester, monopotassium salt, <span class="text-smallcaps">D</span>-(-)-, Potassium <span class="text-smallcaps">D</span>-(1-ethoxycarbonylpropen-2-yl)-α-aminophenylacetate; object_uuid=fo-129e139ac4128809
cas_match_labels 1 consensus_match group_key=potassium[(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'961-69-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-129e139ac4128809: {'961-69-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, potassium salt (1:1), (α<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:961-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=961-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:961-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=961-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (α<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:961-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=961-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Crotonic acid, 3-[(α-carboxybenzyl)amino]-, 1-ethyl ester, monopotassium salt, <span class="text-smallcaps">D</span>-(-)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:961-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=961-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Potassium <span class="text-smallcaps">D</span>-(1-ethoxycarbonylpropen-2-yl)-α-aminophenylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:961-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=961-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=potassium[(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate||dimension=Environmental > media=Air > indoor=Unknown; cas=961-69-3; added Common Chemistry CAS names as altLabel: Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, potassium salt (1:1), (α<em>R</em>)-, Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (<em>R</em>)-, Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (α<em>R</em>)-, Crotonic acid, 3-[(α-carboxybenzyl)amino]-, 1-ethyl ester, monopotassium salt, <span class="text-smallcaps">D</span>-(-)-, Potassium <span class="text-smallcaps">D</span>-(1-ethoxycarbonylpropen-2-yl)-α-aminophenylacetate; object_uuid=fo-129e139ac4128809
cas_match_labels None {'961-69-3': 'exactMatch'} group_key=potassium[(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'961-69-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-129e139ac4128809: {'961-69-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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