3,5,5-trimethylhexanal

← Back to consensus flows

UUID c7a735e7-f9d3-4c16-820a-d89f5c93c238

Flow Object ID fo-a95d2da2f8f894b2

Source EF 3.1

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

CAS Numbers 5435-64-3

EC Numbers 226-603-0

prefLabel

Language	Value	Provenance
`en`	`3,5,5-trimethylhexanal`

altLabel ⓘ

Language	Value	Provenance
`en`	`3,5,5-Trimethylcapronaldehyde`
`en`	`Hexanal, 3,5,5-trimethyl-`
`en`	`NSC 21482`

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`WTPYRCJDOZVZON-UHFFFAOYSA-N`
InChI	`InChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3`
IUPAC name	`3,5,5-trimethylhexanal`
Molecular formula	`C9H18O`
Molecular mass	`142.242`
Monoisotopic mass	`142.13577`
SMILES	`CC(CC=O)CC(C)(C)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`c7a735e7-f9d3-4c16-820a-d89f5c93c238`	3,5,5-trimethylhexanal

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3,5,5-trimethylhexanal	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=3,5,5-trimethylhexanal\|\|dimension=Environmental > media=Air > strata=Unknown; cas=5435-64-3; added Common Chemistry CAS names as altLabel: 3,5,5-Trimethylcapronaldehyde, Hexanal, 3,5,5-trimethyl-, NSC 21482; object_uuid=fo-a95d2da2f8f894b2
`cas_match_labels`	1	`—`	consensus_match	group_key=3,5,5-trimethylhexanal\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5435-64-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a95d2da2f8f894b2: {'5435-64-3': '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`	`None`	[{'@value': '3,5,5-Trimethylcapronaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5435-64-3', 'https://commonchemistry.cas.org/detail?cas_rn=5435-64-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexanal, 3,5,5-trimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5435-64-3', 'https://commonchemistry.cas.org/detail?cas_rn=5435-64-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 21482', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5435-64-3', 'https://commonchemistry.cas.org/detail?cas_rn=5435-64-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3,5,5-trimethylhexanal\|\|dimension=Environmental > media=Air > strata=Unknown; cas=5435-64-3; added Common Chemistry CAS names as altLabel: 3,5,5-Trimethylcapronaldehyde, Hexanal, 3,5,5-trimethyl-, NSC 21482; object_uuid=fo-a95d2da2f8f894b2
`cas_match_labels`	`None`	`{'5435-64-3': 'exactMatch'}`	group_key=3,5,5-trimethylhexanal\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5435-64-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a95d2da2f8f894b2: {'5435-64-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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