Isooctyl 3-mercaptopropionate

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Isooctyl 3-mercaptopropionate

UUID 8b89b27c-6b82-473e-93c2-e42c6043e0fd

Flow Object ID fo-aaf867e077e04391

Source EF 3.1

Context Environmental → Water → Surface water

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	`8b89b27c-6b82-473e-93c2-e42c6043e0fd`	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 fresh 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

Attribute	Value
dimension	Environmental
media	Water
water_body	Surface water

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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