Diethyl 1,4-cyclohexanedicarboxylate

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Diethyl 1,4-cyclohexanedicarboxylate

UUID 2eef49e2-f81a-4d87-b565-bbd68d9c4e6c

Flow Object ID fo-f121c0f83fc179cd

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

CAS Numbers 72903-27-6

EC Numbers 417-310-0

prefLabel

Language	Value	Provenance
`en`	`Diethyl 1,4-cyclohexanedicarboxylate`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,4-Cyclohexane dicarboxylic diethyl ester`
`en`	`1,4-Cyclohexanedicarboxylic acid, 1,4-diethyl ester`
`en`	`1,4-Cyclohexanedicarboxylic acid, diethyl ester`
`en`	`Fructalate`
`en`	`Fructalate 943871`
`en`	`NSC 78975`

References

Shared Properties

Predicate	Value
InChIKey	`BZXHPTZUMNWGRN-UHFFFAOYSA-N, KRJHRNUTLDTSKY-UHFFFAOYSA-N`
InChI	`InChI=1S/C12H20O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h9-10H,3-8H2,1-2H3, InChI=1S/C9H12ClNO/c1-7(11-12)6-8-2-4-9(10)5-3-8/h2-5,7,11-12H,6H2,1H3`
IUPAC name	`N-[1-(4-chlorophenyl)propan-2-yl]hydroxylamine, N-[2-(4-chlorophenyl)-1-methyl-ethyl]hydroxylamine, cyclohexane-1,4-dicarboxylic acid diethyl ester, diethyl cyclohexane-1,4-dicarboxylate`
Molecular formula	`C12H20O4, C9H12ClNO`
SMILES	`CC(CC1=CC=C(C=C1)Cl)NO, CCOC(=O)C1CCC(CC1)C(=O)OCC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`2eef49e2-f81a-4d87-b565-bbd68d9c4e6c`	diethyl 1,4-cyclohexanedicarboxylate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	diethyl 1,4-cyclohexanedicarboxylate	Emissions/Emissions to air/Emissions to air, unspecified (long-term)	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=diethyl1,4-cyclohexanedicarboxylate\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=72903-27-6; added Common Chemistry CAS names as altLabel: 1,4-Cyclohexane dicarboxylic diethyl ester, 1,4-Cyclohexanedicarboxylic acid, 1,4-diethyl ester, 1,4-Cyclohexanedicarboxylic acid, diethyl ester, Fructalate, Fructalate 943871, NSC 78975; object_uuid=fo-f121c0f83fc179cd
`cas_match_labels`	1	`—`	consensus_match	group_key=diethyl1,4-cyclohexanedicarboxylate\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'72903-27-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f121c0f83fc179cd: {'72903-27-6': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1,4-Cyclohexane dicarboxylic diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:72903-27-6', 'https://commonchemistry.cas.org/detail?cas_rn=72903-27-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4-Cyclohexanedicarboxylic acid, 1,4-diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:72903-27-6', 'https://commonchemistry.cas.org/detail?cas_rn=72903-27-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4-Cyclohexanedicarboxylic acid, diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:72903-27-6', 'https://commonchemistry.cas.org/detail?cas_rn=72903-27-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fructalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:72903-27-6', 'https://commonchemistry.cas.org/detail?cas_rn=72903-27-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fructalate 943871', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:72903-27-6', 'https://commonchemistry.cas.org/detail?cas_rn=72903-27-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 78975', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:72903-27-6', 'https://commonchemistry.cas.org/detail?cas_rn=72903-27-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=diethyl1,4-cyclohexanedicarboxylate\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=72903-27-6; added Common Chemistry CAS names as altLabel: 1,4-Cyclohexane dicarboxylic diethyl ester, 1,4-Cyclohexanedicarboxylic acid, 1,4-diethyl ester, 1,4-Cyclohexanedicarboxylic acid, diethyl ester, Fructalate, Fructalate 943871, NSC 78975; object_uuid=fo-f121c0f83fc179cd
`cas_match_labels`	`None`	`{'72903-27-6': 'exactMatch'}`	group_key=diethyl1,4-cyclohexanedicarboxylate\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'72903-27-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f121c0f83fc179cd: {'72903-27-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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