2,2,4(or 2,4,4)-trimethyladipic Acid

← Back to consensus flows

2,2,4(or 2,4,4)-trimethyladipic Acid

UUID b9273c0a-32b2-45d3-881e-2f805ec50629

Deprecated yes

Replaced By 0d26e478-66fa-4f11-8ace-0b3c789b4632

Flow Object ID fo-ecc2edad0aa78e3f

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 53445-37-7

EC Numbers 258-556-7

prefLabel

Language	Value	Provenance
`en`	`2,2,4(or 2,4,4)-trimethyladipic Acid`

altLabel ⓘ

Language	Value	Provenance
`en`	`2,2,4(<em>or</em> 2,4,4)-Trimethylhexanedioic acid`
`en`	`Hexanedioic acid, 2,2,4(<em>or</em> 2,4,4)-trimethyl-`

References

Shared Properties

Predicate	Value
InChIKey	`DWFUTNJGNBYHNN-UHFFFAOYSA-N, ZSCBAJZMNJWRTI-UHFFFAOYSA-N`
InChI	`InChI=1S/C11H16O5/c1-14-9-3-10(15-2)5-11(4-9)16-7-8(13)6-12/h3-5,8,12-13H,6-7H2,1-2H3, InChI=1S/C9H16O4/c1-6(4-7(10)11)5-9(2,3)8(12)13/h6H,4-5H2,1-3H3,(H,10,11)(H,12,13)`
IUPAC name	`2,2,4-trimethyladipic acid, 2,2,4-trimethylhexanedioic acid, 3-(3,5-dimethoxyphenoxy)propane-1,2-diol`
Molecular formula	`C11H16O5, C9H16O4`
SMILES	`CC(CC(=O)O)CC(C)(C)C(=O)O, COC1=CC(=CC(=C1)OCC(CO)O)OC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`b9273c0a-32b2-45d3-881e-2f805ec50629`	2,2,4(or 2,4,4)-trimethyladipic acid

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=2,2,4(or2,4,4)-trimethyladipicacid\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=53445-37-7; added Common Chemistry CAS names as altLabel: 2,2,4(<em>or</em> 2,4,4)-Trimethylhexanedioic acid, Hexanedioic acid, 2,2,4(<em>or</em> 2,4,4)-trimethyl-; object_uuid=fo-ecc2edad0aa78e3f
`cas_match_labels`	1	`—`	consensus_match	group_key=2,2,4(or2,4,4)-trimethyladipicacid\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'53445-37-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ecc2edad0aa78e3f: {'53445-37-7': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2,2,4(<em>or</em> 2,4,4)-Trimethylhexanedioic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:53445-37-7', 'https://commonchemistry.cas.org/detail?cas_rn=53445-37-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexanedioic acid, 2,2,4(<em>or</em> 2,4,4)-trimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:53445-37-7', 'https://commonchemistry.cas.org/detail?cas_rn=53445-37-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2,2,4(or2,4,4)-trimethyladipicacid\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=53445-37-7; added Common Chemistry CAS names as altLabel: 2,2,4(<em>or</em> 2,4,4)-Trimethylhexanedioic acid, Hexanedioic acid, 2,2,4(<em>or</em> 2,4,4)-trimethyl-; object_uuid=fo-ecc2edad0aa78e3f
`cas_match_labels`	`None`	`{'53445-37-7': 'exactMatch'}`	group_key=2,2,4(or2,4,4)-trimethyladipicacid\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'53445-37-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ecc2edad0aa78e3f: {'53445-37-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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