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2,2-dimethylpropane-1,3-diyl Bisoctadec-9-enoate

UUID 1847810f-aa5d-4883-a198-9768d0615c6d
Flow Object IDfo-8f022aee3418c1bd
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 42222-50-4
EC Numbers 255-713-1
prefLabel
Language Value Provenance
en 2,2-dimethylpropane-1,3-diyl Bisoctadec-9-enoate
altLabel
Language Value Provenance
en 1,1′-(2,2-Dimethyl-1,3-propanediyl) di-(9<em>Z</em>)-9-octadecenoate
en 9-Octadecenoic acid (9<em>Z</em>)-, 1,1′-(2,2-dimethyl-1,3-propanediyl) ester
en 9-Octadecenoic acid (9<em>Z</em>)-, 2,2-dimethyl-1,3-propanediyl ester
en 9-Octadecenoic acid (<em>Z</em>)-, 2,2-dimethyl-1,3-propanediyl ester
en Hatcol 4322
en Neopentyl glycol dioleate
en Priolube 1446
References
Shared Properties
Predicate Value
InChIKey AMZKGJLFYCZDMJ-OLAQIDGISA-N, AMZKGJLFYCZDMJ-UHFFFAOYSA-N, AMZKGJLFYCZDMJ-WRBBJXAJSA-N
InChI InChI=1S/C41H76O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(42)44-37-41(3,4)38-45-40(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22H,5-18,23-38H2,1-4H3, InChI=1S/C41H76O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(42)44-37-41(3,4)38-45-40(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22H,5-18,23-38H2,1-4H3/b21-19-,22-20+, InChI=1S/C41H76O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(42)44-37-41(3,4)38-45-40(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22H,5-18,23-38H2,1-4H3/b21-19-,22-20-
IUPAC name (2,2-dimethyl-3-octadec-9-enoyloxy-propyl) octadec-9-enoate, (2,2-dimethyl-3-octadec-9-enoyloxypropyl) octadec-9-enoate, (Z)-9-octadecenoic acid [2,2-dimethyl-3-[(E)-1-oxooctadec-9-enoxy]propyl] ester, (Z)-9-octadecenoic acid [2,2-dimethyl-3-[(Z)-1-oxooctadec-9-enoxy]propyl] ester, (Z)-octadec-9-enoic acid [2,2-dimethyl-3-[(E)-octadec-9-enoyl]oxy-propyl] ester, (Z)-octadec-9-enoic acid [2,2-dimethyl-3-[(Z)-octadec-9-enoyl]oxy-propyl] ester, 9-octadecenoic acid [2,2-dimethyl-3-(1-oxooctadec-9-enoxy)propyl] ester, [2,2-dimethyl-3-[(E)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate, [2,2-dimethyl-3-[(E)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate, [2,2-dimethyl-3-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate, [2,2-dimethyl-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate, octadec-9-enoic acid (2,2-dimethyl-3-octadec-9-enoyloxy-propyl) ester
Molecular formula C41H76O4
SMILES CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCC/C=C\CCCCCCCC, CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)(C)C, CCCCCCCCC=CCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCC=CCCCCCCCC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 1847810f-aa5d-4883-a198-9768d0615c6d 2,2-dimethylpropane-1,3-diyl bisoctadec-9-enoate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2,2-dimethylpropane-1,3-diyl bisoctadec-9-enoate Emissions/Emissions to water/Emissions to sea water 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=2,2-dimethylpropane-1,3-diylbisoctadec-9-enoate||dimension=Environmental > media=Water > water_body=Unknown; cas=42222-50-4; added Common Chemistry CAS names as altLabel: 1,1′-(2,2-Dimethyl-1,3-propanediyl) di-(9<em>Z</em>)-9-octadecenoate, 9-Octadecenoic acid (9<em>Z</em>)-, 1,1′-(2,2-dimethyl-1,3-propanediyl) ester, 9-Octadecenoic acid (9<em>Z</em>)-, 2,2-dimethyl-1,3-propanediyl ester, 9-Octadecenoic acid (<em>Z</em>)-, 2,2-dimethyl-1,3-propanediyl ester, Hatcol 4322, Neopentyl glycol dioleate, Priolube 1446; object_uuid=fo-8f022aee3418c1bd
cas_match_labels 1 consensus_match group_key=2,2-dimethylpropane-1,3-diylbisoctadec-9-enoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'42222-50-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8f022aee3418c1bd: {'42222-50-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,1′-(2,2-Dimethyl-1,3-propanediyl) di-(9<em>Z</em>)-9-octadecenoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:42222-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=42222-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '9-Octadecenoic acid (9<em>Z</em>)-, 1,1′-(2,2-dimethyl-1,3-propanediyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:42222-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=42222-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '9-Octadecenoic acid (9<em>Z</em>)-, 2,2-dimethyl-1,3-propanediyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:42222-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=42222-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '9-Octadecenoic acid (<em>Z</em>)-, 2,2-dimethyl-1,3-propanediyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:42222-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=42222-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hatcol 4322', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:42222-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=42222-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Neopentyl glycol dioleate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:42222-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=42222-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Priolube 1446', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:42222-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=42222-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,2-dimethylpropane-1,3-diylbisoctadec-9-enoate||dimension=Environmental > media=Water > water_body=Unknown; cas=42222-50-4; added Common Chemistry CAS names as altLabel: 1,1′-(2,2-Dimethyl-1,3-propanediyl) di-(9<em>Z</em>)-9-octadecenoate, 9-Octadecenoic acid (9<em>Z</em>)-, 1,1′-(2,2-dimethyl-1,3-propanediyl) ester, 9-Octadecenoic acid (9<em>Z</em>)-, 2,2-dimethyl-1,3-propanediyl ester, 9-Octadecenoic acid (<em>Z</em>)-, 2,2-dimethyl-1,3-propanediyl ester, Hatcol 4322, Neopentyl glycol dioleate, Priolube 1446; object_uuid=fo-8f022aee3418c1bd
cas_match_labels None {'42222-50-4': 'exactMatch'} group_key=2,2-dimethylpropane-1,3-diylbisoctadec-9-enoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'42222-50-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8f022aee3418c1bd: {'42222-50-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "(2,2-dimethyl-3-octadec-9-enoyloxypropyl) octadec-9-enoate",
        "(Z)-9-octadecenoic acid [2,2-dimethyl-3-[(E)-1-oxooctadec-9-enoxy]propyl] ester",
        "(Z)-9-octadecenoic acid [2,2-dimethyl-3-[(Z)-1-oxooctadec-9-enoxy]propyl] ester",
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