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Trimethylolpropane triheptanoate

UUID b0a50611-0c12-40dd-8afc-d7fc6b146ae9
Flow Object IDfo-f32919c2baa57b86
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 78-16-0
EC Numbers 201-089-0
prefLabel
Language Value Provenance
en Trimethylolpropane triheptanoate
altLabel ⓘ
Language Value Provenance
en 1,1,1-Trimethylolpropane triheptanoate
en 1,1′-[2-Ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] diheptanoate
en Basestock 704
en Heptanoic acid, 1,1′-[2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester
en Heptanoic acid, 2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl ester
en Heptanoic acid, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
en P 41
en P 41 (ester)
en Reolube LT 2100
en 2,2-bis[(heptanoyloxy)methyl]butyl Heptanoate (non-preferred Name)
References
Shared Properties
Predicate Value
InChIKey UQJDVLPHTXQTRP-UHFFFAOYSA-N
InChI InChI=1S/C27H50O6/c1-5-9-12-15-18-24(28)31-21-27(8-4,22-32-25(29)19-16-13-10-6-2)23-33-26(30)20-17-14-11-7-3/h5-23H2,1-4H3
IUPAC name 2,2-bis(heptanoyloxymethyl)butyl heptanoate, enanthic acid 2,2-bis(enanthyloxymethyl)butyl ester, heptanoic acid 2,2-bis(1-oxoheptoxymethyl)butyl ester
Molecular formula C27H50O6
SMILES CCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 b0a50611-0c12-40dd-8afc-d7fc6b146ae9 2,2-bis[(heptanoyloxy)methyl]butyl heptanoate (non-preferred name)

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2,2-bis[(heptanoyloxy)methyl]butyl heptanoate (non-preferred name) 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-bis[(heptanoyloxy)methyl]butylheptanoate(non-preferredname)||dimension=Environmental > media=Air > indoor=Unknown; cas=78-16-0; added Common Chemistry CAS names as altLabel: 1,1,1-Trimethylolpropane triheptanoate, 1,1′-[2-Ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] diheptanoate, Basestock 704, Heptanoic acid, 1,1′-[2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester, Heptanoic acid, 2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl ester, Heptanoic acid, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, P 41, P 41 (ester), Reolube LT 2100, Trimethylolpropane triheptanoate; object_uuid=fo-f32919c2baa57b86
cas_match_labels 1 — consensus_match group_key=2,2-bis[(heptanoyloxy)methyl]butylheptanoate(non-preferredname)||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'78-16-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f32919c2baa57b86: {'78-16-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,1,1-Trimethylolpropane triheptanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-16-0', 'https://commonchemistry.cas.org/detail?cas_rn=78-16-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,1′-[2-Ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] diheptanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-16-0', 'https://commonchemistry.cas.org/detail?cas_rn=78-16-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Basestock 704', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-16-0', 'https://commonchemistry.cas.org/detail?cas_rn=78-16-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Heptanoic acid, 1,1′-[2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-16-0', 'https://commonchemistry.cas.org/detail?cas_rn=78-16-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Heptanoic acid, 2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-16-0', 'https://commonchemistry.cas.org/detail?cas_rn=78-16-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Heptanoic acid, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-16-0', 'https://commonchemistry.cas.org/detail?cas_rn=78-16-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'P 41', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-16-0', 'https://commonchemistry.cas.org/detail?cas_rn=78-16-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'P 41 (ester)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-16-0', 'https://commonchemistry.cas.org/detail?cas_rn=78-16-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Reolube LT 2100', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-16-0', 'https://commonchemistry.cas.org/detail?cas_rn=78-16-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trimethylolpropane triheptanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-16-0', 'https://commonchemistry.cas.org/detail?cas_rn=78-16-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,2-bis[(heptanoyloxy)methyl]butylheptanoate(non-preferredname)||dimension=Environmental > media=Air > indoor=Unknown; cas=78-16-0; added Common Chemistry CAS names as altLabel: 1,1,1-Trimethylolpropane triheptanoate, 1,1′-[2-Ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] diheptanoate, Basestock 704, Heptanoic acid, 1,1′-[2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester, Heptanoic acid, 2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl ester, Heptanoic acid, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, P 41, P 41 (ester), Reolube LT 2100, Trimethylolpropane triheptanoate; object_uuid=fo-f32919c2baa57b86
cas_match_labels None {'78-16-0': 'exactMatch'} group_key=2,2-bis[(heptanoyloxy)methyl]butylheptanoate(non-preferredname)||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'78-16-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f32919c2baa57b86: {'78-16-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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