2,2,4,6,6-pentamethylheptane

← Back to consensus flows

2,2,4,6,6-pentamethylheptane

UUID 3ce63e8d-8f20-4341-b354-ccfb06d5ff3e

Flow Object ID fo-1c2744152324f5fa

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 13475-82-6

EC Numbers 236-757-0

prefLabel

Language	Value	Provenance
`en`	`2,2,4,6,6-pentamethylheptane`

altLabel ⓘ

Language	Value	Provenance
`en`	`Daphne Alpha Cleaner MX`
`en`	`Heptane, 2,2,4,6,6-pentamethyl-`
`en`	`Marukazol R`

Definitions

Language	Value	Provenance
`en`	A branched alkane that is heptane carrying two methyl groups each at positions 2 and 6, and one methyl group at position 4.

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`VKPSKYDESGTTFR-UHFFFAOYSA-N`
InChI	`InChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3`
IUPAC name	`2,2,4,6,6-pentamethylheptane`
Molecular formula	`C12H26`
Molecular mass	`170.34`
Monoisotopic mass	`170.20345`
SMILES	`CC(CC(C)(C)C)CC(C)(C)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`3ce63e8d-8f20-4341-b354-ccfb06d5ff3e`	2,2,4,6,6-pentamethylheptane

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2,2,4,6,6-pentamethylheptane	Emissions/Emissions to soil/Emissions to soil, unspecified	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=2,2,4,6,6-pentamethylheptane\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=13475-82-6; added Common Chemistry CAS names as altLabel: Daphne Alpha Cleaner MX, Heptane, 2,2,4,6,6-pentamethyl-, Marukazol R; object_uuid=fo-1c2744152324f5fa
`cas_match_labels`	1	`—`	consensus_match	group_key=2,2,4,6,6-pentamethylheptane\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13475-82-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1c2744152324f5fa: {'13475-82-6': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': 'Daphne Alpha Cleaner MX', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13475-82-6', 'https://commonchemistry.cas.org/detail?cas_rn=13475-82-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Heptane, 2,2,4,6,6-pentamethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13475-82-6', 'https://commonchemistry.cas.org/detail?cas_rn=13475-82-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Marukazol R', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13475-82-6', 'https://commonchemistry.cas.org/detail?cas_rn=13475-82-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2,2,4,6,6-pentamethylheptane\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=13475-82-6; added Common Chemistry CAS names as altLabel: Daphne Alpha Cleaner MX, Heptane, 2,2,4,6,6-pentamethyl-, Marukazol R; object_uuid=fo-1c2744152324f5fa
`cas_match_labels`	`None`	`{'13475-82-6': 'exactMatch'}`	group_key=2,2,4,6,6-pentamethylheptane\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13475-82-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1c2744152324f5fa: {'13475-82-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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