Sodium 4-isopropylbenzenesulfonate

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Sodium 4-isopropylbenzenesulfonate

UUID ca7a410a-42fb-4d33-9a54-4efee8470d63

Flow Object ID fo-5f71027c710e889b

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 15763-76-5

EC Numbers 239-854-6

prefLabel

Language	Value	Provenance
`en`	`Sodium 4-isopropylbenzenesulfonate`

altLabel ⓘ

Language	Value	Provenance
`en`	`<em>p</em>-Cumenesulfonic acid, sodium salt`
`en`	`Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt`
`en`	`Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt (1:1)`
`en`	`Sodium <em>p</em>-cumenesulfonate`
`en`	`Sodium <em>p</em>-isopropylbenzenesulfonate`

References

Shared Properties

Predicate	Value
InChIKey	`BJVQMPLRSFIZMB-UHFFFAOYSA-N, QEKATQBVVAZOAY-UHFFFAOYSA-M`
InChI	`InChI=1S/C9H12O3S.Na/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;/h3-7H,1-2H3,(H,10,11,12);, InChI=1S/C9H12O3S.Na/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;/h3-7H,1-2H3,(H,10,11,12);/q;+1/p-1`
IUPAC name	`sodium 4-isopropylbenzenesulfonate, sodium 4-isopropylbesylate, sodium 4-propan-2-ylbenzenesulfonate`
Molecular formula	`C9H11NaO3S, C9H12NaO3S`
SMILES	`CC(C)C1=CC=C(C=C1)S(=O)(=O)O.[Na], CC(C)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`ca7a410a-42fb-4d33-9a54-4efee8470d63`	sodium 4-isopropylbenzenesulfonate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	sodium 4-isopropylbenzenesulfonate	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=sodium4-isopropylbenzenesulfonate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=15763-76-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Cumenesulfonic acid, sodium salt, Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt, Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt (1:1), Sodium <em>p</em>-cumenesulfonate, Sodium <em>p</em>-isopropylbenzenesulfonate; object_uuid=fo-5f71027c710e889b
`cas_match_labels`	1	`—`	consensus_match	group_key=sodium4-isopropylbenzenesulfonate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15763-76-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5f71027c710e889b: {'15763-76-5': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '<em>p</em>-Cumenesulfonic acid, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15763-76-5', 'https://commonchemistry.cas.org/detail?cas_rn=15763-76-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15763-76-5', 'https://commonchemistry.cas.org/detail?cas_rn=15763-76-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15763-76-5', 'https://commonchemistry.cas.org/detail?cas_rn=15763-76-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium <em>p</em>-cumenesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15763-76-5', 'https://commonchemistry.cas.org/detail?cas_rn=15763-76-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium <em>p</em>-isopropylbenzenesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15763-76-5', 'https://commonchemistry.cas.org/detail?cas_rn=15763-76-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=sodium4-isopropylbenzenesulfonate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=15763-76-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Cumenesulfonic acid, sodium salt, Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt, Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt (1:1), Sodium <em>p</em>-cumenesulfonate, Sodium <em>p</em>-isopropylbenzenesulfonate; object_uuid=fo-5f71027c710e889b
`cas_match_labels`	`None`	`{'15763-76-5': 'exactMatch'}`	group_key=sodium4-isopropylbenzenesulfonate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15763-76-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5f71027c710e889b: {'15763-76-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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