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Docosanoic Acid, Ester With 1,2,3-propanetriol

UUID 8a27b2df-4690-4f3c-ad7f-e026b6a98b09
Flow Object IDfo-d8b148e88170b83d
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 77538-19-3
EC Numbers 278-717-5
prefLabel
Language Value Provenance
en Docosanoic Acid, Ester With 1,2,3-propanetriol
altLabel ⓘ
Language Value Provenance
en Compritol 888CG
en Compritol 888CG-ATO
en Docosanoin
en Glycerin behenate
en Glycerin docosanoate
en Glycerol behenate
en Glyceryl behenate
en Kolliwax GDB
en Poem B 200
en Rikemal B 200
en Speziol GDB
en Speziol GDB Pharma
en Sunsoft 8100CK
References
Shared Properties
Predicate Value
InChIKey DMBUODUULYCPAK-UHFFFAOYSA-N, OKMWKBLSFKFYGZ-UHFFFAOYSA-N
InChI InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h24,26-27H,2-23H2,1H3, InChI=1S/C69H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3
IUPAC name 2,3-bis(oxidanyl)propyl docosanoate, 2,3-di(docosanoyloxy)propyl docosanoate, 2,3-dihydroxypropyl docosanoate, behenic acid 2,3-di(docosanoyloxy)propyl ester, behenic acid glyceryl ester, docosanoic acid 2,3-bis(1-oxodocosoxy)propyl ester, docosanoic acid 2,3-dihydroxypropyl ester
Molecular formula C25H50O4, C69H134O6
SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O, CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 8a27b2df-4690-4f3c-ad7f-e026b6a98b09 docosanoic acid, ester with 1,2,3-propanetriol

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 docosanoic acid, ester with 1,2,3-propanetriol 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=docosanoicacid,esterwith1,2,3-propanetriol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=77538-19-3; added Common Chemistry CAS names as altLabel: Compritol 888CG, Compritol 888CG-ATO, Docosanoin, Glycerin behenate, Glycerin docosanoate, Glycerol behenate, Glyceryl behenate, Kolliwax GDB, Poem B 200, Rikemal B 200, Speziol GDB, Speziol GDB Pharma, Sunsoft 8100CK; object_uuid=fo-d8b148e88170b83d
cas_match_labels 1 — consensus_match group_key=docosanoicacid,esterwith1,2,3-propanetriol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'77538-19-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d8b148e88170b83d: {'77538-19-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Compritol 888CG', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:77538-19-3', 'https://commonchemistry.cas.org/detail?cas_rn=77538-19-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Compritol 888CG-ATO', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:77538-19-3', 'https://commonchemistry.cas.org/detail?cas_rn=77538-19-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Docosanoin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:77538-19-3', 'https://commonchemistry.cas.org/detail?cas_rn=77538-19-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Glycerin behenate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:77538-19-3', 'https://commonchemistry.cas.org/detail?cas_rn=77538-19-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Glycerin docosanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:77538-19-3', 'https://commonchemistry.cas.org/detail?cas_rn=77538-19-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Glycerol behenate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:77538-19-3', 'https://commonchemistry.cas.org/detail?cas_rn=77538-19-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Glyceryl behenate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:77538-19-3', 'https://commonchemistry.cas.org/detail?cas_rn=77538-19-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Kolliwax GDB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:77538-19-3', 'https://commonchemistry.cas.org/detail?cas_rn=77538-19-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Poem B 200', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:77538-19-3', 'https://commonchemistry.cas.org/detail?cas_rn=77538-19-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Rikemal B 200', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:77538-19-3', 'https://commonchemistry.cas.org/detail?cas_rn=77538-19-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Speziol GDB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:77538-19-3', 'https://commonchemistry.cas.org/detail?cas_rn=77538-19-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Speziol GDB Pharma', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:77538-19-3', 'https://commonchemistry.cas.org/detail?cas_rn=77538-19-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sunsoft 8100CK', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:77538-19-3', 'https://commonchemistry.cas.org/detail?cas_rn=77538-19-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=docosanoicacid,esterwith1,2,3-propanetriol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=77538-19-3; added Common Chemistry CAS names as altLabel: Compritol 888CG, Compritol 888CG-ATO, Docosanoin, Glycerin behenate, Glycerin docosanoate, Glycerol behenate, Glyceryl behenate, Kolliwax GDB, Poem B 200, Rikemal B 200, Speziol GDB, Speziol GDB Pharma, Sunsoft 8100CK; object_uuid=fo-d8b148e88170b83d
cas_match_labels None {'77538-19-3': 'exactMatch'} group_key=docosanoicacid,esterwith1,2,3-propanetriol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'77538-19-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d8b148e88170b83d: {'77538-19-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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