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2-propylheptyl Octanoate

UUID abe0a32c-0edf-4e93-a238-7828d4d8609d
Flow Object IDfo-7b4d40f7775f93ce
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 868839-23-0
EC Numbers 485-390-4
prefLabel
Language Value Provenance
en 2-propylheptyl Octanoate
altLabel ⓘ
Language Value Provenance
en Cetiol SenSoft
en Octanoic acid, 2-propylheptyl ester
References
Shared Properties
Predicate Value
InChIKey OQBIVESRYIWBPL-UHFFFAOYSA-N, WHBKVWBGTBULQY-UHFFFAOYSA-N
InChI InChI=1S/C18H36O2/c1-4-7-9-10-12-15-18(19)20-16-17(13-6-3)14-11-8-5-2/h17H,4-16H2,1-3H3, InChI=1S/C18H36O2/c1-4-7-9-11-13-16-18(19)20-17(14-6-3)15-12-10-8-5-2/h17H,4-16H2,1-3H3
IUPAC name 1-propylheptyl octanoate, 2-propylheptyl octanoate, caprylic acid 1-propylheptyl ester, caprylic acid 2-propylheptyl ester, decan-4-yl octanoate, octanoic acid 2-propylheptyl ester, octanoic acid decan-4-yl ester
Molecular formula C18H36O2
SMILES CCCCCCCC(=O)OC(CCC)CCCCCC, CCCCCCCC(=O)OCC(CCC)CCCCC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 abe0a32c-0edf-4e93-a238-7828d4d8609d 2-propylheptyl octanoate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-propylheptyl octanoate 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=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=868839-23-0; added Common Chemistry CAS names as altLabel: Cetiol SenSoft, Octanoic acid, 2-propylheptyl ester; object_uuid=fo-7b4d40f7775f93ce
cas_match_labels 1 — consensus_match group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'868839-23-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7b4d40f7775f93ce: {'868839-23-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Cetiol SenSoft', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:868839-23-0', 'https://commonchemistry.cas.org/detail?cas_rn=868839-23-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Octanoic acid, 2-propylheptyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:868839-23-0', 'https://commonchemistry.cas.org/detail?cas_rn=868839-23-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=868839-23-0; added Common Chemistry CAS names as altLabel: Cetiol SenSoft, Octanoic acid, 2-propylheptyl ester; object_uuid=fo-7b4d40f7775f93ce
cas_match_labels None {'868839-23-0': 'exactMatch'} group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'868839-23-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7b4d40f7775f93ce: {'868839-23-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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