3-methylhexane

← Back to consensus flows

UUID fe0acd60-3ddc-11dd-aee3-0050c2490048

Flow Object ID fo-ffc4ba40ffd8d2a6

Source EF 3.1

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

CAS Numbers 589-34-4

EC Numbers 209-643-3

prefLabel

Language	Value	Provenance
`en`	`3-methylhexane`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-ethylpentane`
`en`	`(±)-3-Methylhexane`
`en`	`Hexane, 3-methyl-`
`en`	`NSC 73937`

Definitions

Language	Value	Provenance
`en`	An alkane that is hexane substituted by a methyl group at position 3.

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`VLJXXKKOSFGPHI-UHFFFAOYSA-N`
InChI	`InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3`
IUPAC name	`3-methylhexane`
Molecular formula	`C7H16`
Molecular mass	`100.205`
Monoisotopic mass	`100.1252`
SMILES	`CCCC(C)CC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`fe0acd60-3ddc-11dd-aee3-0050c2490048`	3-methylhexane

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3-methylhexane	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-methylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=589-34-4; added Common Chemistry CAS names as altLabel: (±)-3-Methylhexane, Hexane, 3-methyl-, NSC 73937; object_uuid=fo-ffc4ba40ffd8d2a6
`cas_match_labels`	1	`—`	consensus_match	group_key=3-methylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-34-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ffc4ba40ffd8d2a6: {'589-34-4': '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': '2-ethylpentane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethylpentane', 'http://purl.obolibrary.org/obo/CHEBI_143848', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]`	[{'@value': '2-ethylpentane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethylpentane', 'http://purl.obolibrary.org/obo/CHEBI_143848', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(±)-3-Methylhexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:589-34-4', 'https://commonchemistry.cas.org/detail?cas_rn=589-34-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexane, 3-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:589-34-4', 'https://commonchemistry.cas.org/detail?cas_rn=589-34-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 73937', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:589-34-4', 'https://commonchemistry.cas.org/detail?cas_rn=589-34-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3-methylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=589-34-4; added Common Chemistry CAS names as altLabel: (±)-3-Methylhexane, Hexane, 3-methyl-, NSC 73937; object_uuid=fo-ffc4ba40ffd8d2a6
`cas_match_labels`	`None`	`{'589-34-4': 'exactMatch'}`	group_key=3-methylhexane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-34-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ffc4ba40ffd8d2a6: {'589-34-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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