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Calcium Bis(7-methyloctanoate)

UUID 2f6453c7-b08c-4240-b5cf-b37df3da7722
Flow Object IDfo-456132f69384c7cc
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 53988-05-9
EC Numbers 258-901-1
prefLabel
Language Value Provenance
en Calcium Bis(7-methyloctanoate)
altLabel ⓘ
Language Value Provenance
en Calcium isononanoate
en Isononanoic acid, calcium salt
en Isononanoic acid, calcium salt (2:1)
References
Shared Properties
Predicate Value
InChIKey KTYKLJLZEBJWRK-UHFFFAOYSA-L, QSSGIYRIEKPVTG-UHFFFAOYSA-L
InChI InChI=1S/2C9H18O2.Ca/c2*1-2-3-4-5-6-7-8-9(10)11;/h2*2-8H2,1H3,(H,10,11);/q;;+2/p-2, InChI=1S/2C9H18O2.Ca/c2*1-8(2)6-4-3-5-7-9(10)11;/h2*8H,3-7H2,1-2H3,(H,10,11);/q;;+2/p-2
IUPAC name calcium bis(7-methylcaprylate), calcium bis(7-methyloctanoate), calcium bis(nonanoate), calcium pelargonate
Molecular formula C18H34CaO4
SMILES CC(C)CCCCCC(=O)[O-].CC(C)CCCCCC(=O)[O-].[Ca+2], CCCCCCCCC(=O)[O-].CCCCCCCCC(=O)[O-].[Ca+2]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 2f6453c7-b08c-4240-b5cf-b37df3da7722 calcium bis(7-methyloctanoate)

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 calcium bis(7-methyloctanoate) 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=calciumbis(7-methyloctanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=53988-05-9; added Common Chemistry CAS names as altLabel: Calcium isononanoate, Isononanoic acid, calcium salt, Isononanoic acid, calcium salt (2:1); object_uuid=fo-456132f69384c7cc
cas_match_labels 1 — consensus_match group_key=calciumbis(7-methyloctanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'53988-05-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-456132f69384c7cc: {'53988-05-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Calcium isononanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:53988-05-9', 'https://commonchemistry.cas.org/detail?cas_rn=53988-05-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isononanoic acid, calcium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:53988-05-9', 'https://commonchemistry.cas.org/detail?cas_rn=53988-05-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isononanoic acid, calcium salt (2:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:53988-05-9', 'https://commonchemistry.cas.org/detail?cas_rn=53988-05-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=calciumbis(7-methyloctanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=53988-05-9; added Common Chemistry CAS names as altLabel: Calcium isononanoate, Isononanoic acid, calcium salt, Isononanoic acid, calcium salt (2:1); object_uuid=fo-456132f69384c7cc
cas_match_labels None {'53988-05-9': 'exactMatch'} group_key=calciumbis(7-methyloctanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'53988-05-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-456132f69384c7cc: {'53988-05-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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