Dimethyl 1,4-cyclohexane Dicarboxylate

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Dimethyl 1,4-cyclohexane Dicarboxylate

UUID 53165120-0797-45ac-8092-393ac5707cf4

Flow Object ID fo-016577a9042194f0

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 94-60-0

EC Numbers 202-347-5

prefLabel

Language	Value	Provenance
`en`	`Dimethyl 1,4-cyclohexane Dicarboxylate`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester`
`en`	`1,4-Cyclohexanedicarboxylic acid, dimethyl ester`
`en`	`1,4-Cyclohexanedicarboxylic dimethyl ester`
`en`	`1,4-Dimethyl cyclohexane-1,4-dicarboxylate`
`en`	`Dimethyl 1,4-cyclohexanedicarboxylate`
`en`	`Dimethyl hexahydroterephthalate`

References

Shared Properties

Predicate	Value
InChIKey	`DQYGPKIKWPZBKZ-UHFFFAOYSA-N, HWMVBIHZNFLENM-UHFFFAOYSA-L, LNGAGQAGYITKCW-UHFFFAOYSA-N, ZLSWBLPERHFHIS-SCSAIBSYSA-N`
InChI	`InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3, InChI=1S/C10H16O4/c1-6-5-7(8(11)12)3-4-10(6,2)9(13)14/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14)/p-2, InChI=1S/C10H16O4/c1-7(11)14-9-5-3-8(4-6-9)10(12)13-2/h8-9H,3-6H2,1-2H3, InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)/t4-/m1/s1`
IUPAC name	`(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid, (2R)-2-(2,4,5-trichlorophenoxy)propionic acid, (2R)-2-[2,4,5-tris(chloranyl)phenoxy]propanoic acid, 1,2-dimethylcyclohexane-1,4-dicarboxylate, 4-acetoxycyclohexanecarboxylic acid methyl ester, 4-acetyloxy-1-cyclohexanecarboxylic acid methyl ester, cyclohexane-1,4-dicarboxylic acid dimethyl ester, dimethyl cyclohexane-1,4-dicarboxylate, methyl 4-acetoxycyclohexanecarboxylate, methyl 4-acetyloxycyclohexane-1-carboxylate`
Molecular formula	`C10H14O4-2, C10H16O4, C9H7Cl3O3`
SMILES	`CC(=O)OC1CCC(CC1)C(=O)OC, CC(C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl, CC1CC(CCC1(C)C(=O)[O-])C(=O)[O-], COC(=O)C1CCC(CC1)C(=O)OC, C[C@H](C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`53165120-0797-45ac-8092-393ac5707cf4`	dimethyl 1,4-cyclohexane dicarboxylate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	dimethyl 1,4-cyclohexane dicarboxylate	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=dimethyl1,4-cyclohexanedicarboxylate\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=94-60-0; added Common Chemistry CAS names as altLabel: 1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester, 1,4-Cyclohexanedicarboxylic acid, dimethyl ester, 1,4-Cyclohexanedicarboxylic dimethyl ester, 1,4-Dimethyl cyclohexane-1,4-dicarboxylate, Dimethyl 1,4-cyclohexanedicarboxylate, Dimethyl hexahydroterephthalate; object_uuid=fo-016577a9042194f0
`cas_match_labels`	1	`—`	consensus_match	group_key=dimethyl1,4-cyclohexanedicarboxylate\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'94-60-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-016577a9042194f0: {'94-60-0': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
indoor	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:94-60-0', 'https://commonchemistry.cas.org/detail?cas_rn=94-60-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4-Cyclohexanedicarboxylic acid, dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:94-60-0', 'https://commonchemistry.cas.org/detail?cas_rn=94-60-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4-Cyclohexanedicarboxylic dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:94-60-0', 'https://commonchemistry.cas.org/detail?cas_rn=94-60-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4-Dimethyl cyclohexane-1,4-dicarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:94-60-0', 'https://commonchemistry.cas.org/detail?cas_rn=94-60-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl 1,4-cyclohexanedicarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:94-60-0', 'https://commonchemistry.cas.org/detail?cas_rn=94-60-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl hexahydroterephthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:94-60-0', 'https://commonchemistry.cas.org/detail?cas_rn=94-60-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=dimethyl1,4-cyclohexanedicarboxylate\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=94-60-0; added Common Chemistry CAS names as altLabel: 1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester, 1,4-Cyclohexanedicarboxylic acid, dimethyl ester, 1,4-Cyclohexanedicarboxylic dimethyl ester, 1,4-Dimethyl cyclohexane-1,4-dicarboxylate, Dimethyl 1,4-cyclohexanedicarboxylate, Dimethyl hexahydroterephthalate; object_uuid=fo-016577a9042194f0
`cas_match_labels`	`None`	`{'94-60-0': 'exactMatch'}`	group_key=dimethyl1,4-cyclohexanedicarboxylate\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'94-60-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-016577a9042194f0: {'94-60-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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