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Fatty Acids, C16-18 (even Numbered), Branched And Linear, Triesters With Trimethylolpropane

UUID 55d249d6-d8ef-4eca-b3da-789c783a5c0a
Flow Object IDfo-56323815fc2168aa
Source EF 3.1
Context Environmental → Air → Ground level → Rural (<1000 people/square mile)
CAS Numbers 68541-50-4
EC Numbers 271-347-5
prefLabel
Language Value Provenance
en Fatty Acids, C16-18 (even Numbered), Branched And Linear, Triesters With Trimethylolpropane
altLabel
Language Value Provenance
en Crodamol TTIS
en Emery 2951
en Isooctadecanoic acid, 1,1′-[2-ethyl-2-[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl] ester
en Isooctadecanoic acid, 2-ethyl-2-[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl ester
en KAK-TTI
en Nikkol Trialan 318
en Nikkol Trialan 318H
en Pelemol TMPIS
en Priolube 3999
en Prisorine 3630
en RA-TM 318
en Radia 7380
en Salacos 6318
en Salacos 6318V
en Trimethylolpropane triisooctadecanoate
en Trimethylolpropane triisostearate
References
Shared Properties
Predicate Value
InChIKey PHMFOWQZOHAHQY-UHFFFAOYSA-N, RKJGFHYCZPZJPE-UHFFFAOYSA-N, XKBGOZUEVBYOMF-UHFFFAOYSA-N
InChI InChI=1S/3C18H36O2.C6H14O3/c3*1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-2-6(3-7,4-8)5-9/h3*17H,3-16H2,1-2H3,(H,19,20);7-9H,2-5H2,1H3, InChI=1S/C60H116O6/c1-8-60(51-64-57(61)48-42-36-30-24-18-12-9-15-21-27-33-39-45-54(2)3,52-65-58(62)49-43-37-31-25-19-13-10-16-22-28-34-40-46-55(4)5)53-66-59(63)50-44-38-32-26-20-14-11-17-23-29-35-41-47-56(6)7/h54-56H,8-53H2,1-7H3, InChI=1S/C79H152O6/c1-11-78(66-57-49-41-33-25-17-21-29-37-45-53-62-72(7)8,74(80)64-55-47-39-31-23-15-13-19-27-35-43-51-60-70(3)4)76(82)84-68-59-69-85-77(83)79(12-2,67-58-50-42-34-26-18-22-30-38-46-54-63-73(9)10)75(81)65-56-48-40-32-24-16-14-20-28-36-44-52-61-71(5)6/h70-73H,11-69H2,1-10H3
IUPAC name 16-methylheptadecanoic acid 2,2-bis(16-methylheptadecanoyloxymethyl)butyl ester, 16-methylheptadecanoic acid 2,2-bis[(16-methyl-1-oxoheptadecoxy)methyl]butyl ester, 2,2-bis(16-methylheptadecanoyloxymethyl)butyl 16-methylheptadecanoate, 2-ethyl-18-methyl-2-(14-methylpentadecyl)-3-oxononadecanoic acid 3-[2-ethyl-18-methyl-2-(14-methylpentadecyl)-1,3-dioxononadecoxy]propyl ester, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;tris(16-methylheptadecanoic acid), 2-ethyl-2-methylol-propane-1,3-diol;tris(16-methylheptadecanoic acid), 2-ethyl-3-keto-18-methyl-2-(14-methylpentadecyl)nonadecanoic acid 3-[2-ethyl-3-keto-18-methyl-2-(14-methylpentadecyl)nonadecanoyl]oxypropyl ester, 3-[2-ethyl-18-methyl-2-(14-methylpentadecyl)-3-oxidanylidene-nonadecanoyl]oxypropyl 2-ethyl-18-methyl-2-(14-methylpentadecyl)-3-oxidanylidene-nonadecanoate, 3-[2-ethyl-18-methyl-2-(14-methylpentadecyl)-3-oxo-nonadecanoyl]oxypropyl 2-ethyl-18-methyl-2-(14-methylpentadecyl)-3-oxo-nonadecanoate, 3-[2-ethyl-18-methyl-2-(14-methylpentadecyl)-3-oxononadecanoyl]oxypropyl 2-ethyl-18-methyl-2-(14-methylpentadecyl)-3-oxononadecanoate
Molecular formula C60H116O6, C60H122O9, C79H152O6
Molecular mass 1198.079
Monoisotopic mass 1197.158893
SMILES CCC(CCCCCCCCCCCCCC(C)C)(C(=O)CCCCCCCCCCCCCCC(C)C)C(=O)OCCCOC(=O)C(CC)(CCCCCCCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCCCC(C)C, CCC(CO)(CO)CO.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O, CCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 55d249d6-d8ef-4eca-b3da-789c783a5c0a fatty acids, c16-18 (even numbered), branched and linear, triesters with trimethylolpropane

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 fatty acids, c16-18 (even numbered), branched and linear, triesters with trimethylolpropane 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=fattyacids,c16-18(evennumbered),branchedandlinear,triesterswithtrimethylolpropane||dimension=Environmental > media=Water > water_body=Unknown; cas=68541-50-4; added Common Chemistry CAS names as altLabel: Crodamol TTIS, Emery 2951, Isooctadecanoic acid, 1,1′-[2-ethyl-2-[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl] ester, Isooctadecanoic acid, 2-ethyl-2-[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl ester, KAK-TTI, Nikkol Trialan 318, Nikkol Trialan 318H, Pelemol TMPIS, Priolube 3999, Prisorine 3630, RA-TM 318, Radia 7380, Salacos 6318, Salacos 6318V, Trimethylolpropane triisooctadecanoate, Trimethylolpropane triisostearate; object_uuid=fo-56323815fc2168aa
cas_match_labels 1 consensus_match group_key=fattyacids,c16-18(evennumbered),branchedandlinear,triesterswithtrimethylolpropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68541-50-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-56323815fc2168aa: {'68541-50-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityRural (<1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Crodamol TTIS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68541-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=68541-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Emery 2951', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68541-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=68541-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isooctadecanoic acid, 1,1′-[2-ethyl-2-[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl] ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68541-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=68541-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isooctadecanoic acid, 2-ethyl-2-[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68541-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=68541-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'KAK-TTI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68541-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=68541-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nikkol Trialan 318', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68541-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=68541-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nikkol Trialan 318H', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68541-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=68541-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pelemol TMPIS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68541-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=68541-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Priolube 3999', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68541-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=68541-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Prisorine 3630', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68541-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=68541-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'RA-TM 318', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68541-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=68541-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Radia 7380', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68541-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=68541-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Salacos 6318', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68541-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=68541-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Salacos 6318V', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68541-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=68541-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trimethylolpropane triisooctadecanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68541-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=68541-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trimethylolpropane triisostearate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68541-50-4', 'https://commonchemistry.cas.org/detail?cas_rn=68541-50-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=fattyacids,c16-18(evennumbered),branchedandlinear,triesterswithtrimethylolpropane||dimension=Environmental > media=Water > water_body=Unknown; cas=68541-50-4; added Common Chemistry CAS names as altLabel: Crodamol TTIS, Emery 2951, Isooctadecanoic acid, 1,1′-[2-ethyl-2-[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl] ester, Isooctadecanoic acid, 2-ethyl-2-[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl ester, KAK-TTI, Nikkol Trialan 318, Nikkol Trialan 318H, Pelemol TMPIS, Priolube 3999, Prisorine 3630, RA-TM 318, Radia 7380, Salacos 6318, Salacos 6318V, Trimethylolpropane triisooctadecanoate, Trimethylolpropane triisostearate; object_uuid=fo-56323815fc2168aa
cas_match_labels None {'68541-50-4': 'exactMatch'} group_key=fattyacids,c16-18(evennumbered),branchedandlinear,triesterswithtrimethylolpropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68541-50-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-56323815fc2168aa: {'68541-50-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "16-methylheptadecanoic acid 2,2-bis[(16-methyl-1-oxoheptadecoxy)methyl]butyl ester",
        "2,2-bis(16-methylheptadecanoyloxymethyl)butyl 16-methylheptadecanoate",
        "2-ethyl-18-methyl-2-(14-methylpentadecyl)-3-oxononadecanoic acid 3-[2-ethyl-18-methyl-2-(14-methylpentadecyl)-1,3-dioxononadecoxy]propyl ester",
        "2-ethyl-2-(hydroxymethyl)propane-1,3-diol;tris(16-methylheptadecanoic acid)",
        "2-ethyl-2-methylol-propane-1,3-diol;tris(16-methylheptadecanoic acid)",
        "2-ethyl-3-keto-18-methyl-2-(14-methylpentadecyl)nonadecanoic acid 3-[2-ethyl-3-keto-18-methyl-2-(14-methylpentadecyl)nonadecanoyl]oxypropyl ester",
        "3-[2-ethyl-18-methyl-2-(14-methylpentadecyl)-3-oxidanylidene-nonadecanoyl]oxypropyl 2-ethyl-18-methyl-2-(14-methylpentadecyl)-3-oxidanylidene-nonadecanoate",
        "3-[2-ethyl-18-methyl-2-(14-methylpentadecyl)-3-oxo-nonadecanoyl]oxypropyl 2-ethyl-18-methyl-2-(14-methylpentadecyl)-3-oxo-nonadecanoate",
        "3-[2-ethyl-18-methyl-2-(14-methylpentadecyl)-3-oxononadecanoyl]oxypropyl 2-ethyl-18-methyl-2-(14-methylpentadecyl)-3-oxononadecanoate"
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