2,5-dimethylhexane-2,5-diol

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2,5-dimethylhexane-2,5-diol

UUID 70105479-00e6-49c0-aa41-00a545d0223d

Flow Object ID fo-cf5d3a7bd833c462

Source EF 3.1

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

CAS Numbers 110-03-2

EC Numbers 203-731-5

prefLabel

Language	Value	Provenance
`en`	`2,5-dimethylhexane-2,5-diol`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,1,4,4-Tetramethyl-1,4-butanediol`
`en`	`2,5-Dihydroxy-2,5-dimethylhexane`
`en`	`2,5-Dimethyl-2,5-dihydroxyhexane`
`en`	`2,5-Dimethyl-2,5-hexanediol`
`en`	`2,5-Hexanediol, 2,5-dimethyl-`
`en`	`NSC 5595`

References

Shared Properties

Predicate	Value
InChIKey	`QKHGETNNSJIVNT-UHFFFAOYSA-N, RUGDYDBEYAHJCD-UHFFFAOYSA-N, ZWNMRZQYWRLGMM-UHFFFAOYSA-N`
InChI	`InChI=1S/C20H14O2/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19(21)20(18)22/h3-10H,1-2H3, InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3, InChI=1S/C9H10O4S/c1-14(12,13)8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)`
IUPAC name	`2,5-dimethylhexane-2,5-diol, 2-(3-mesylphenyl)acetic acid, 2-(3-methylsulfonylphenyl)acetic acid, 2-(3-methylsulfonylphenyl)ethanoic acid, 7,12-dimethylbenz[a]anthracene-5,6-quinone, 7,12-dimethylbenzo[a]anthracene-5,6-dione`
Molecular formula	`C20H14O2, C8H18O2, C9H10O4S`
SMILES	`CC(C)(CCC(C)(C)O)O, CC1=C2C3=CC=CC=C3C(=O)C(=O)C2=C(C4=CC=CC=C14)C, CS(=O)(=O)C1=CC=CC(=C1)CC(=O)O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`70105479-00e6-49c0-aa41-00a545d0223d`	2,5-dimethylhexane-2,5-diol

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2,5-dimethylhexane-2,5-diol	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=2,5-dimethylhexane-2,5-diol\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=110-03-2; added Common Chemistry CAS names as altLabel: 1,1,4,4-Tetramethyl-1,4-butanediol, 2,5-Dihydroxy-2,5-dimethylhexane, 2,5-Dimethyl-2,5-dihydroxyhexane, 2,5-Dimethyl-2,5-hexanediol, 2,5-Hexanediol, 2,5-dimethyl-, NSC 5595; object_uuid=fo-cf5d3a7bd833c462
`cas_match_labels`	1	`—`	consensus_match	group_key=2,5-dimethylhexane-2,5-diol\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'110-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cf5d3a7bd833c462: {'110-03-2': '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': '1,1,4,4-Tetramethyl-1,4-butanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110-03-2', 'https://commonchemistry.cas.org/detail?cas_rn=110-03-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,5-Dihydroxy-2,5-dimethylhexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110-03-2', 'https://commonchemistry.cas.org/detail?cas_rn=110-03-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,5-Dimethyl-2,5-dihydroxyhexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110-03-2', 'https://commonchemistry.cas.org/detail?cas_rn=110-03-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,5-Dimethyl-2,5-hexanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110-03-2', 'https://commonchemistry.cas.org/detail?cas_rn=110-03-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,5-Hexanediol, 2,5-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110-03-2', 'https://commonchemistry.cas.org/detail?cas_rn=110-03-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 5595', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110-03-2', 'https://commonchemistry.cas.org/detail?cas_rn=110-03-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2,5-dimethylhexane-2,5-diol\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=110-03-2; added Common Chemistry CAS names as altLabel: 1,1,4,4-Tetramethyl-1,4-butanediol, 2,5-Dihydroxy-2,5-dimethylhexane, 2,5-Dimethyl-2,5-dihydroxyhexane, 2,5-Dimethyl-2,5-hexanediol, 2,5-Hexanediol, 2,5-dimethyl-, NSC 5595; object_uuid=fo-cf5d3a7bd833c462
`cas_match_labels`	`None`	`{'110-03-2': 'exactMatch'}`	group_key=2,5-dimethylhexane-2,5-diol\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'110-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cf5d3a7bd833c462: {'110-03-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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