4-tert-butylbenzoic Acid

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UUID 924097ac-eb0f-4e5d-8777-228b1a537843

Flow Object ID fo-4b821d85564fb394

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

CAS Numbers 98-73-7

EC Numbers 202-696-3

prefLabel

Language	Value	Provenance
`en`	`4-tert-butylbenzoic Acid`

altLabel ⓘ

Language	Value	Provenance
`en`	`4-t-Butylbenzoic acid`
`en`	`p-tert-Butylbenzoic acid`
`en`	`4-(1,1-Dimethylethyl)benzoic acid`
`en`	`4-<em>t</em>-Butylbenzoic acid`
`en`	`4-<em>tert</em>-Butylbenzoic acid`
`en`	`4-Tertiary-butylbenzoic acid`
`en`	`<em>p</em>-<em>t</em>-Butylbenzoic acid`
`en`	`<em>p</em>-<em>tert</em>-Butylbenzoic acid`
`en`	`<em>p</em>-<em>tert</em>-Butylphenylcarboxylic acid`
`en`	`Benzoic acid, 4-(1,1-dimethylethyl)-`
`en`	`Benzoic acid, <em>p</em>-<em>tert</em>-butyl-`
`en`	`NSC 4802`

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`KDVYCTOWXSLNNI-UHFFFAOYSA-N`
InChI	`InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)`
IUPAC name	`4-tert-butylbenzoic acid`
Molecular formula	`C11H14O2`
Molecular mass	`178.231`
Monoisotopic mass	`178.09938`
SMILES	`CC(C)(C)C1=CC=C(C=C1)C(=O)O, CC(C)(C)c1ccc(C(=O)O)cc1`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`924097ac-eb0f-4e5d-8777-228b1a537843`	4-tert-butylbenzoic acid

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	4-tert-butylbenzoic acid	Emissions/Emissions to air/Emissions to air, unspecified (long-term)	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=4-tert-butylbenzoicacid\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=98-73-7; added Common Chemistry CAS names as altLabel: 4-(1,1-Dimethylethyl)benzoic acid, 4-<em>t</em>-Butylbenzoic acid, 4-<em>tert</em>-Butylbenzoic acid, 4-Tertiary-butylbenzoic acid, <em>p</em>-<em>t</em>-Butylbenzoic acid, <em>p</em>-<em>tert</em>-Butylbenzoic acid, <em>p</em>-<em>tert</em>-Butylphenylcarboxylic acid, Benzoic acid, 4-(1,1-dimethylethyl)-, Benzoic acid, <em>p</em>-<em>tert</em>-butyl-, NSC 4802; object_uuid=fo-4b821d85564fb394
`cas_match_labels`	1	`—`	consensus_match	group_key=4-tert-butylbenzoicacid\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'98-73-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4b821d85564fb394: {'98-73-7': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	[{'@value': '4-t-Butylbenzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-t-Butylbenzoic acid', 'http://purl.obolibrary.org/obo/CHEBI_34443', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-tert-Butylbenzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-tert-Butylbenzoic acid', 'http://purl.obolibrary.org/obo/CHEBI_34443', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]	[{'@value': '4-t-Butylbenzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-t-Butylbenzoic acid', 'http://purl.obolibrary.org/obo/CHEBI_34443', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-tert-Butylbenzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-tert-Butylbenzoic acid', 'http://purl.obolibrary.org/obo/CHEBI_34443', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-(1,1-Dimethylethyl)benzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-73-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-73-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-<em>t</em>-Butylbenzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-73-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-73-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-<em>tert</em>-Butylbenzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-73-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-73-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Tertiary-butylbenzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-73-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-73-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-<em>t</em>-Butylbenzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-73-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-73-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-<em>tert</em>-Butylbenzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-73-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-73-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-<em>tert</em>-Butylphenylcarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-73-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-73-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, 4-(1,1-dimethylethyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-73-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-73-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, <em>p</em>-<em>tert</em>-butyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-73-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-73-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 4802', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-73-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-73-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=4-tert-butylbenzoicacid\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=98-73-7; added Common Chemistry CAS names as altLabel: 4-(1,1-Dimethylethyl)benzoic acid, 4-<em>t</em>-Butylbenzoic acid, 4-<em>tert</em>-Butylbenzoic acid, 4-Tertiary-butylbenzoic acid, <em>p</em>-<em>t</em>-Butylbenzoic acid, <em>p</em>-<em>tert</em>-Butylbenzoic acid, <em>p</em>-<em>tert</em>-Butylphenylcarboxylic acid, Benzoic acid, 4-(1,1-dimethylethyl)-, Benzoic acid, <em>p</em>-<em>tert</em>-butyl-, NSC 4802; object_uuid=fo-4b821d85564fb394
`cas_match_labels`	`None`	`{'98-73-7': 'exactMatch'}`	group_key=4-tert-butylbenzoicacid\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'98-73-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4b821d85564fb394: {'98-73-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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