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Bis(2-methylpropyl) Cyclohexane-1,2-dicarboxylate

UUID 5037f346-9f2b-420f-91fd-ff05e3528e1e
Flow Object IDfo-9f8b92e39d838275
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 70969-58-3
EC Numbers 275-069-5
prefLabel
Language Value Provenance
en Bis(2-methylpropyl) Cyclohexane-1,2-dicarboxylate
altLabel ⓘ
Language Value Provenance
en 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester
en 1,2-Cyclohexanedicarboxylic acid, bis(2-methylpropyl) ester
en Cyclohexane-1,2-dicarboxylic acid di(isobutyl) ester
en Diisobutyl 1,2-cyclohexanedicarboxylate
References
Shared Properties
Predicate Value
InChIKey NXALIGSWMVWYHB-UHFFFAOYSA-M, QUKHPBOCBWDYMW-UHFFFAOYSA-N
InChI InChI=1S/C16H28O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h11-14H,5-10H2,1-4H3, InChI=1S/C21H30NO.ClH/c1-21(2,18-10-7-6-8-11-18)19-12-14-20(15-13-19)23-17-9-16-22(3,4)5;/h6-8,10-15H,9,16-17H2,1-5H3;1H/q+1;/p-1
IUPAC name 3-(4-cumylphenoxy)propyl-trimethyl-ammonium chloride, bis(2-methylpropyl) cyclohexane-1,2-dicarboxylate, cyclohexane-1,2-dicarboxylic acid bis(2-methylpropyl) ester, cyclohexane-1,2-dicarboxylic acid diisobutyl ester, diisobutyl cyclohexane-1,2-dicarboxylate, trimethyl-[3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]ammonium chloride, trimethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ammonium chloride, trimethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium chloride
Molecular formula C16H28O4, C21H30ClNO
SMILES CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCC[N+](C)(C)C.[Cl-], CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 5037f346-9f2b-420f-91fd-ff05e3528e1e bis(2-methylpropyl) cyclohexane-1,2-dicarboxylate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 bis(2-methylpropyl) cyclohexane-1,2-dicarboxylate Emissions/Emissions to air/Emissions to air, 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=bis(2-methylpropyl)cyclohexane-1,2-dicarboxylate||dimension=Environmental > media=Ground > geography=Agricultural; cas=70969-58-3; added Common Chemistry CAS names as altLabel: 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester, 1,2-Cyclohexanedicarboxylic acid, bis(2-methylpropyl) ester, Cyclohexane-1,2-dicarboxylic acid di(isobutyl) ester, Diisobutyl 1,2-cyclohexanedicarboxylate; object_uuid=fo-9f8b92e39d838275
cas_match_labels 1 — consensus_match group_key=bis(2-methylpropyl)cyclohexane-1,2-dicarboxylate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'70969-58-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9f8b92e39d838275: {'70969-58-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:70969-58-3', 'https://commonchemistry.cas.org/detail?cas_rn=70969-58-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,2-Cyclohexanedicarboxylic acid, bis(2-methylpropyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:70969-58-3', 'https://commonchemistry.cas.org/detail?cas_rn=70969-58-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexane-1,2-dicarboxylic acid di(isobutyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:70969-58-3', 'https://commonchemistry.cas.org/detail?cas_rn=70969-58-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diisobutyl 1,2-cyclohexanedicarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:70969-58-3', 'https://commonchemistry.cas.org/detail?cas_rn=70969-58-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=bis(2-methylpropyl)cyclohexane-1,2-dicarboxylate||dimension=Environmental > media=Ground > geography=Agricultural; cas=70969-58-3; added Common Chemistry CAS names as altLabel: 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester, 1,2-Cyclohexanedicarboxylic acid, bis(2-methylpropyl) ester, Cyclohexane-1,2-dicarboxylic acid di(isobutyl) ester, Diisobutyl 1,2-cyclohexanedicarboxylate; object_uuid=fo-9f8b92e39d838275
cas_match_labels None {'70969-58-3': 'exactMatch'} group_key=bis(2-methylpropyl)cyclohexane-1,2-dicarboxylate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'70969-58-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9f8b92e39d838275: {'70969-58-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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