Ethyl 2-oxocyclohexanecarboxylate

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Ethyl 2-oxocyclohexanecarboxylate

UUID 00ccd0e6-0c72-4db1-b95c-9b093213705e

Flow Object ID fo-dc8d2f5e3013d13d

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 1655-07-8

EC Numbers 216-731-5

prefLabel

Language	Value	Provenance
`en`	`Ethyl 2-oxocyclohexanecarboxylate`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-(Ethoxycarbonyl)cyclohexanone`
`en`	`2-Carbethoxycyclohexanone`
`en`	`2-Carboethoxycyclohexanone`
`en`	`2-Oxocyclohexanecarboxylic acid ethyl ester`
`en`	`Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester`
`en`	`Ethyl 1-oxo-2-cyclohexanecarboxylate`
`en`	`Ethyl 2-cyclohexanone-1-carboxylate`
`en`	`Ethyl 2-oxo-1-cyclohexanecarboxylate`
`en`	`Ethyl 2-oxocyclohexan-1-carboxylate`
`en`	`Ethyl cyclohexanone-2-carboxylate`
`en`	`NSC 18744`

References

Shared Properties

Predicate	Value
InChIKey	`FGSGHBPKHFDJOP-UHFFFAOYSA-N, FGSGHBPKHFDJOP-ZETCQYMHSA-N, IOONAHVIIBQUSV-UHFFFAOYSA-N, SEDHYBDWEGMQLO-UHFFFAOYSA-N, WOGRTPJVNNCUKN-UHFFFAOYSA-N`
InChI	`InChI=1S/C10H8N2O4/c1-16-9-6-11(13)8-5-3-2-4-7(8)10(9)12(14)15/h2-6H,1H3, InChI=1S/C9H14O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h10H,2-6H2,1H3, InChI=1S/C9H14O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7H,2-6H2,1H3, InChI=1S/C9H14O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7H,2-6H2,1H3/t7-/m0/s1, InChI=1S/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8,10H,2-6H2,1H3`
IUPAC name	(1S)-2-ketocyclohexanecarboxylic acid ethyl ester, (1S)-2-oxo-1-cyclohexanecarboxylic acid ethyl ester, 2-hydroxy-1-cyclohexanecarboxylic acid ethyl ester, 2-hydroxy-1-cyclohexenecarboxylic acid ethyl ester, 2-hydroxycyclohexanecarboxylic acid ethyl ester, 2-hydroxycyclohexene-1-carboxylic acid ethyl ester, 2-ketocyclohexanecarboxylic acid ethyl ester, 2-oxo-1-cyclohexanecarboxylic acid ethyl ester, 3-methoxy-4-nitro-1-oxidanidyl-quinolin-1-ium, 3-methoxy-4-nitro-1-oxido-quinolin-1-ium, 3-methoxy-4-nitro-1-oxidoquinolin-1-ium, ethyl (1S)-2-oxidanylidenecyclohexane-1-carboxylate, ethyl (1S)-2-oxocyclohexane-1-carboxylate, ethyl (1S)-2-oxocyclohexanecarboxylate, ethyl 2-hydroxycyclohexane-1-carboxylate, ethyl 2-hydroxycyclohexanecarboxylate, ethyl 2-hydroxycyclohexene-1-carboxylate, ethyl 2-oxidanylcyclohexane-1-carboxylate, ethyl 2-oxidanylcyclohexene-1-carboxylate, ethyl 2-oxidanylidenecyclohexane-1-carboxylate, ethyl 2-oxocyclohexane-1-carboxylate, ethyl 2-oxocyclohexanecarboxylate
Molecular formula	`C10H8N2O4, C9H14O3, C9H16O3`
SMILES	`CCOC(=O)C1=C(CCCC1)O, CCOC(=O)C1CCCCC1=O, CCOC(=O)C1CCCCC1O, CCOC(=O)[C@H]1CCCCC1=O, COC1=C(C2=CC=CC=C2[N+](=C1)[O-])[N+](=O)[O-]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`00ccd0e6-0c72-4db1-b95c-9b093213705e`	ethyl 2-oxocyclohexanecarboxylate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	ethyl 2-oxocyclohexanecarboxylate	Emissions/Emissions to water/Emissions to water, unspecified	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=ethyl2-oxocyclohexanecarboxylate\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=1655-07-8; added Common Chemistry CAS names as altLabel: 2-(Ethoxycarbonyl)cyclohexanone, 2-Carbethoxycyclohexanone, 2-Carboethoxycyclohexanone, 2-Oxocyclohexanecarboxylic acid ethyl ester, Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester, Ethyl 1-oxo-2-cyclohexanecarboxylate, Ethyl 2-cyclohexanone-1-carboxylate, Ethyl 2-oxo-1-cyclohexanecarboxylate, Ethyl 2-oxocyclohexan-1-carboxylate, Ethyl cyclohexanone-2-carboxylate, NSC 18744; object_uuid=fo-dc8d2f5e3013d13d
`cas_match_labels`	1	`—`	consensus_match	group_key=ethyl2-oxocyclohexanecarboxylate\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1655-07-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dc8d2f5e3013d13d: {'1655-07-8': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2-(Ethoxycarbonyl)cyclohexanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1655-07-8', 'https://commonchemistry.cas.org/detail?cas_rn=1655-07-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Carbethoxycyclohexanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1655-07-8', 'https://commonchemistry.cas.org/detail?cas_rn=1655-07-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Carboethoxycyclohexanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1655-07-8', 'https://commonchemistry.cas.org/detail?cas_rn=1655-07-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Oxocyclohexanecarboxylic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1655-07-8', 'https://commonchemistry.cas.org/detail?cas_rn=1655-07-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1655-07-8', 'https://commonchemistry.cas.org/detail?cas_rn=1655-07-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 1-oxo-2-cyclohexanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1655-07-8', 'https://commonchemistry.cas.org/detail?cas_rn=1655-07-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 2-cyclohexanone-1-carboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1655-07-8', 'https://commonchemistry.cas.org/detail?cas_rn=1655-07-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 2-oxo-1-cyclohexanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1655-07-8', 'https://commonchemistry.cas.org/detail?cas_rn=1655-07-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 2-oxocyclohexan-1-carboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1655-07-8', 'https://commonchemistry.cas.org/detail?cas_rn=1655-07-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl cyclohexanone-2-carboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1655-07-8', 'https://commonchemistry.cas.org/detail?cas_rn=1655-07-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 18744', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1655-07-8', 'https://commonchemistry.cas.org/detail?cas_rn=1655-07-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=ethyl2-oxocyclohexanecarboxylate\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=1655-07-8; added Common Chemistry CAS names as altLabel: 2-(Ethoxycarbonyl)cyclohexanone, 2-Carbethoxycyclohexanone, 2-Carboethoxycyclohexanone, 2-Oxocyclohexanecarboxylic acid ethyl ester, Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester, Ethyl 1-oxo-2-cyclohexanecarboxylate, Ethyl 2-cyclohexanone-1-carboxylate, Ethyl 2-oxo-1-cyclohexanecarboxylate, Ethyl 2-oxocyclohexan-1-carboxylate, Ethyl cyclohexanone-2-carboxylate, NSC 18744; object_uuid=fo-dc8d2f5e3013d13d
`cas_match_labels`	`None`	`{'1655-07-8': 'exactMatch'}`	group_key=ethyl2-oxocyclohexanecarboxylate\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1655-07-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dc8d2f5e3013d13d: {'1655-07-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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