Trinexapac-ethyl

← Back to consensus flows

UUID bd4fdbae-ce5d-47b9-8b27-a883b3daa0de

Flow Object ID fo-844841c5416f872a

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 95266-40-3

EC Numbers 680-302-2

prefLabel

Language	Value	Provenance
`en`	`Trinexapac-ethyl`

altLabel ⓘ

Language	Value	Provenance
`en`	`ethyl (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate`
`en`	`ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate`
`en`	`ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylate`
`en`	`CGA 163935`
`en`	`Cimectacarb`
`en`	`Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester`
`en`	`Moddus`
`en`	`Palisade EC`
`en`	`Primo`
`en`	`Primo Maxx`

Definitions

Language	Value	Provenance
`en`	An ethyl ester resulting from the formal condensation of the carboxy group of trinexapac with ethanol.

References

agr:IND44384082
http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.007.034J
http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J768.876H
https://commonchemistry.cas.org/detail?cas_rn=95266-40-3
https://comptox.epa.gov/dashboard/DTXSID9032535
https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q89W563T9J
https://pubchem.ncbi.nlm.nih.gov/compound/92421
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81817
https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182004
https://www.genome.jp/entry/C18541
https://www.wikidata.org/wiki/Q27155616
patent:EP126713
patent:US2011230347
patent:US4693745
pesticides:derivatives/trinexapac-ethyl
reaxys:11736961

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`RVKCCVTVZORVGD-QXMHVHEDSA-N, RVKCCVTVZORVGD-UHFFFAOYSA-N`
InChI	`InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3, InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3/b12-11-`
IUPAC name	`4-[cyclopropyl(hydroxy)methylene]-3,5-diketo-cyclohexanecarboxylic acid ethyl ester, 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxo-1-cyclohexanecarboxylic acid ethyl ester, ethyl 4-[cyclopropyl(hydroxy)methylene]-3,5-dioxo-cyclohexanecarboxylate, ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate, ethyl 4-[cyclopropyl(oxidanyl)methylidene]-3,5-bis(oxidanylidene)cyclohexane-1-carboxylate`
Molecular formula	`C13H16O5`
Molecular mass	`252.266`
Monoisotopic mass	`252.09977`
SMILES	`CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1, CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`bd4fdbae-ce5d-47b9-8b27-a883b3daa0de`	trinexapac-ethyl

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	trinexapac-ethyl	Emissions/Emissions to air/Emissions to air, indoor	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=trinexapac-ethyl\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=95266-40-3; added Common Chemistry CAS names as altLabel: CGA 163935, Cimectacarb, Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester, Moddus, Palisade EC, Primo, Primo Maxx; object_uuid=fo-844841c5416f872a
`cas_match_labels`	1	`—`	consensus_match	group_key=trinexapac-ethyl\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'95266-40-3': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-844841c5416f872a: {'95266-40-3': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
indoor	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	[{'@value': 'ethyl (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_81817', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_81817', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_81817', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]	[{'@value': 'ethyl (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_81817', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_81817', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_81817', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'CGA 163935', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:95266-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=95266-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cimectacarb', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:95266-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=95266-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:95266-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=95266-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Moddus', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:95266-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=95266-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Palisade EC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:95266-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=95266-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Primo', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:95266-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=95266-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Primo Maxx', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:95266-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=95266-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=trinexapac-ethyl\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=95266-40-3; added Common Chemistry CAS names as altLabel: CGA 163935, Cimectacarb, Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester, Moddus, Palisade EC, Primo, Primo Maxx; object_uuid=fo-844841c5416f872a
`cas_match_labels`	`None`	`{'95266-40-3': 'exactMatch'}`	group_key=trinexapac-ethyl\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'95266-40-3': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-844841c5416f872a: {'95266-40-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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