2,6,6-trimethyl-bicyclo[3.1.1]heptane-3-carboxaldehyde

← Back to consensus flows

2,6,6-trimethyl-bicyclo[3.1.1]heptane-3-carboxaldehyde

UUID 82b172de-c403-4d21-a3a1-cc26b1da73d5

Flow Object ID fo-64d15bcc61f80eaa

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 60113-43-1

EC Numbers 262-062-7

prefLabel

Language	Value	Provenance
`en`	`2,6,6-trimethyl-bicyclo[3.1.1]heptane-3-carboxaldehyde`

altLabel ⓘ

Language	Value	Provenance
`en`	`2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carbaldehyde`
`en`	`2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxaldehyde`
`en`	`Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-`

References

Shared Properties

Predicate	Value
InChIKey	`HIHFRAZOZMTUMG-UHFFFAOYSA-N, VUNCLQCPKWLBRY-UHFFFAOYSA-N`
InChI	`InChI=1S/C11H18O/c1-7-8(6-12)4-9-5-10(7)11(9,2)3/h6-10H,4-5H2,1-3H3, InChI=1S/C6H9NO3S/c1-11-3-2-4-5(8)10-6(9)7-4/h4H,2-3H2,1H3,(H,7,9)`
IUPAC name	`2,6,6-trimethyl-3-bicyclo[3.1.1]heptanecarboxaldehyde, 2,6,6-trimethylbicyclo[3.1.1]heptane-3-carbaldehyde, 2,6,6-trimethylnorpinane-3-carbaldehyde, 4-(2-methylsulfanylethyl)-1,3-oxazolidine-2,5-dione, 4-(2-methylsulfanylethyl)oxazolidine-2,5-dione, 4-[2-(methylthio)ethyl]oxazolidine-2,5-dione, 4-[2-(methylthio)ethyl]oxazolidine-2,5-quinone`
Molecular formula	`C11H18O, C6H9NO3S`
SMILES	`CC1C(CC2CC1C2(C)C)C=O, CSCCC1C(=O)OC(=O)N1`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`82b172de-c403-4d21-a3a1-cc26b1da73d5`	2,6,6-trimethyl-bicyclo[3.1.1]heptane-3-carboxaldehyde

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2,6,6-trimethyl-bicyclo[3.1.1]heptane-3-carboxaldehyde	Emissions/Emissions to air/Emissions to air, indoor	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=2,6,6-trimethyl-bicyclo[3.1.1]heptane-3-carboxaldehyde\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=60113-43-1; added Common Chemistry CAS names as altLabel: 2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carbaldehyde, 2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxaldehyde, Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-; object_uuid=fo-64d15bcc61f80eaa
`cas_match_labels`	1	`—`	consensus_match	group_key=2,6,6-trimethyl-bicyclo[3.1.1]heptane-3-carboxaldehyde\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'60113-43-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-64d15bcc61f80eaa: {'60113-43-1': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
indoor	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carbaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60113-43-1', 'https://commonchemistry.cas.org/detail?cas_rn=60113-43-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60113-43-1', 'https://commonchemistry.cas.org/detail?cas_rn=60113-43-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60113-43-1', 'https://commonchemistry.cas.org/detail?cas_rn=60113-43-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2,6,6-trimethyl-bicyclo[3.1.1]heptane-3-carboxaldehyde\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=60113-43-1; added Common Chemistry CAS names as altLabel: 2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carbaldehyde, 2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxaldehyde, Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-; object_uuid=fo-64d15bcc61f80eaa
`cas_match_labels`	`None`	`{'60113-43-1': 'exactMatch'}`	group_key=2,6,6-trimethyl-bicyclo[3.1.1]heptane-3-carboxaldehyde\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'60113-43-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-64d15bcc61f80eaa: {'60113-43-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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