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Isooctyl 3-mercaptopropionate

UUID e6985b13-2e90-4c30-8bc2-46d039ff794e
Flow Object IDfo-aaf867e077e04391
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 30374-01-7
EC Numbers 250-157-6
prefLabel
Language Value Provenance
en Isooctyl 3-mercaptopropionate
altLabel ⓘ
Language Value Provenance
en Evabopol 498
en Isooctyl 3-mercaptopropioate
en Isooctyl mercaptopropionate
en Isooctyl β-mercaptopropionate
en Propanoic acid, 3-mercapto-, isooctyl ester
en Propionic acid, 3-mercapto-, isooctyl ester
References
Shared Properties
Predicate Value
InChIKey ZHUWXKIPGGZNJW-UHFFFAOYSA-N
InChI InChI=1S/C11H22O2S/c1-10(2)6-4-3-5-8-13-11(12)7-9-14/h10,14H,3-9H2,1-2H3
IUPAC name 3-mercaptopropanoic acid 6-methylheptyl ester, 3-mercaptopropionic acid 6-methylheptyl ester, 6-methylheptyl 3-sulfanylpropanoate
Molecular formula C11H22O2S
SMILES CC(C)CCCCCOC(=O)CCS

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 e6985b13-2e90-4c30-8bc2-46d039ff794e isooctyl 3-mercaptopropionate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 isooctyl 3-mercaptopropionate 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=isooctyl3-mercaptopropionate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=30374-01-7; added Common Chemistry CAS names as altLabel: Evabopol 498, Isooctyl 3-mercaptopropioate, Isooctyl mercaptopropionate, Isooctyl β-mercaptopropionate, Propanoic acid, 3-mercapto-, isooctyl ester, Propionic acid, 3-mercapto-, isooctyl ester; object_uuid=fo-aaf867e077e04391
cas_match_labels 1 — consensus_match group_key=isooctyl3-mercaptopropionate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'30374-01-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aaf867e077e04391: {'30374-01-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Evabopol 498', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:30374-01-7', 'https://commonchemistry.cas.org/detail?cas_rn=30374-01-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isooctyl 3-mercaptopropioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:30374-01-7', 'https://commonchemistry.cas.org/detail?cas_rn=30374-01-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isooctyl mercaptopropionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:30374-01-7', 'https://commonchemistry.cas.org/detail?cas_rn=30374-01-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isooctyl β-mercaptopropionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:30374-01-7', 'https://commonchemistry.cas.org/detail?cas_rn=30374-01-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 3-mercapto-, isooctyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:30374-01-7', 'https://commonchemistry.cas.org/detail?cas_rn=30374-01-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propionic acid, 3-mercapto-, isooctyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:30374-01-7', 'https://commonchemistry.cas.org/detail?cas_rn=30374-01-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=isooctyl3-mercaptopropionate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=30374-01-7; added Common Chemistry CAS names as altLabel: Evabopol 498, Isooctyl 3-mercaptopropioate, Isooctyl mercaptopropionate, Isooctyl β-mercaptopropionate, Propanoic acid, 3-mercapto-, isooctyl ester, Propionic acid, 3-mercapto-, isooctyl ester; object_uuid=fo-aaf867e077e04391
cas_match_labels None {'30374-01-7': 'exactMatch'} group_key=isooctyl3-mercaptopropionate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'30374-01-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aaf867e077e04391: {'30374-01-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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