2,6-dimethylheptan-4-one

← Back to consensus flows

UUID fd0e67a0-5232-43f2-a7e7-01c9fa433831

Flow Object ID fo-72e838e06dd00fab

Source EF 3.1

Context Environmental → Water → Ocean

CAS Numbers 108-83-8

EC Numbers 203-620-1

prefLabel

Language	Value	Provenance
`en`	`2,6-dimethylheptan-4-one`

altLabel ⓘ

Language	Value	Provenance
`en`	`2,6-Dimethyl-4-heptanone`
`en`	`4-Heptanone, 2,6-dimethyl-`
`en`	`<em>s</em>-Diisopropylacetone`
`en`	`DIBC`
`en`	`DIBK`
`en`	`Diisobutyl ketone`
`en`	`Isobutyl ketone`
`en`	`Isovalerone`
`en`	`NSC 15136`
`en`	`NSC 406913`

References

Shared Properties

Predicate	Value
InChIKey	`HMPUHXCGUHDVBI-UHFFFAOYSA-N, PTTPXKJBFFKCEK-UHFFFAOYSA-N, QEYMMOKECZBKAC-UHFFFAOYSA-N`
InChI	`InChI=1S/C3H5ClO2/c4-2-1-3(5)6/h1-2H2,(H,5,6), InChI=1S/C3H5N3S/c1-2-5-6-3(4)7-2/h1H3,(H2,4,6), InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3`
IUPAC name	`(5-methyl-1,3,4-thiadiazol-2-yl)amine, 2,6-dimethyl-4-heptanone, 2,6-dimethylheptan-4-one, 3-chloranylpropanoic acid, 3-chloropropanoic acid, 3-chloropropionic acid, 5-methyl-1,3,4-thiadiazol-2-amine`
Molecular formula	`C3H5ClO2, C3H5N3S, C9H18O`
SMILES	`C(CCl)C(=O)O, CC(C)CC(=O)CC(C)C, CC1=NN=C(S1)N`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`fd0e67a0-5232-43f2-a7e7-01c9fa433831`	2,6-dimethylheptan-4-one

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2,6-dimethylheptan-4-one	Emissions/Emissions to water/Emissions to sea water	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-dimethylheptan-4-one\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=108-83-8; added Common Chemistry CAS names as altLabel: 2,6-Dimethyl-4-heptanone, 4-Heptanone, 2,6-dimethyl-, <em>s</em>-Diisopropylacetone, DIBC, DIBK, Diisobutyl ketone, Isobutyl ketone, Isovalerone, NSC 15136, NSC 406913; object_uuid=fo-72e838e06dd00fab
`cas_match_labels`	1	`—`	consensus_match	group_key=2,6-dimethylheptan-4-one\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-83-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-72e838e06dd00fab: {'108-83-8': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Ocean

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2,6-Dimethyl-4-heptanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=108-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Heptanone, 2,6-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=108-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>s</em>-Diisopropylacetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=108-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DIBC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=108-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DIBK', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=108-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diisobutyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=108-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isobutyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=108-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isovalerone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=108-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 15136', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=108-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 406913', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=108-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2,6-dimethylheptan-4-one\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=108-83-8; added Common Chemistry CAS names as altLabel: 2,6-Dimethyl-4-heptanone, 4-Heptanone, 2,6-dimethyl-, <em>s</em>-Diisopropylacetone, DIBC, DIBK, Diisobutyl ketone, Isobutyl ketone, Isovalerone, NSC 15136, NSC 406913; object_uuid=fo-72e838e06dd00fab
`cas_match_labels`	`None`	`{'108-83-8': 'exactMatch'}`	group_key=2,6-dimethylheptan-4-one\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-83-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-72e838e06dd00fab: {'108-83-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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