2-ethyl-5,5-dimethyl-1,3-dioxane

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2-ethyl-5,5-dimethyl-1,3-dioxane

UUID 172ad9e7-6556-11dd-ad8b-0800200c9a66

Flow Object ID fo-1032d0819add18a3

Source EF 3.1

Context Environmental → Water → Ocean

CAS Numbers 768-58-1

EC Numbers 212-197-2

prefLabel

Language	Value	Provenance
`en`	`2-ethyl-5,5-dimethyl-1,3-dioxane`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,3-Dioxane, 2-ethyl-5,5-dimethyl-`
`en`	`5,5-Dimethyl-2-ethyl-1,3-dioxane`
`en`	`<em>m</em>-Dioxane, 2-ethyl-5,5-dimethyl-`

References

Shared Properties

Predicate	Value
InChIKey	`FDLFDSDZJXCTHE-UHFFFAOYSA-N, QSHOOPIYPOINNH-UHFFFAOYSA-N, WFGGHEGRIGNWPH-UHFFFAOYSA-N`
InChI	`InChI=1S/C21H17NO/c23-21-12-10-16-6-3-4-8-19(16)20(21)14-22-18-11-9-15-5-1-2-7-17(15)13-18/h1-13,22-23H,14H2, InChI=1S/C5H7ClN2/c1-2-5-7-3-4(6)8-5/h3H,2H2,1H3,(H,7,8), InChI=1S/C8H16O2/c1-4-7-9-5-8(2,3)6-10-7/h7H,4-6H2,1-3H3`
IUPAC name	`1-[(2-naphthalenylamino)methyl]-2-naphthalenol, 1-[(2-naphthylamino)methyl]-2-naphthol, 1-[(2-naphthylamino)methyl]naphthalen-2-ol, 1-[(naphthalen-2-ylamino)methyl]naphthalen-2-ol, 2-ethyl-5,5-dimethyl-1,3-dioxane, 5-chloranyl-2-ethyl-1H-imidazole, 5-chloro-2-ethyl-1H-imidazole`
Molecular formula	`C21H17NO, C5H7ClN2, C8H16O2`
SMILES	`C1=CC=C2C=C(C=CC2=C1)NCC3=C(C=CC4=CC=CC=C43)O, CCC1=NC=C(N1)Cl, CCC1OCC(CO1)(C)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`172ad9e7-6556-11dd-ad8b-0800200c9a66`	2-ethyl-5,5-dimethyl-1,3-dioxane

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2-ethyl-5,5-dimethyl-1,3-dioxane	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-ethyl-5,5-dimethyl-1,3-dioxane\|\|dimension=Environmental > media=Air > strata=Unknown; cas=768-58-1; added Common Chemistry CAS names as altLabel: 1,3-Dioxane, 2-ethyl-5,5-dimethyl-, 5,5-Dimethyl-2-ethyl-1,3-dioxane, <em>m</em>-Dioxane, 2-ethyl-5,5-dimethyl-; object_uuid=fo-1032d0819add18a3
`cas_match_labels`	1	`—`	consensus_match	group_key=2-ethyl-5,5-dimethyl-1,3-dioxane\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'768-58-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1032d0819add18a3: {'768-58-1': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Ocean

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1,3-Dioxane, 2-ethyl-5,5-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:768-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=768-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5,5-Dimethyl-2-ethyl-1,3-dioxane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:768-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=768-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Dioxane, 2-ethyl-5,5-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:768-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=768-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2-ethyl-5,5-dimethyl-1,3-dioxane\|\|dimension=Environmental > media=Air > strata=Unknown; cas=768-58-1; added Common Chemistry CAS names as altLabel: 1,3-Dioxane, 2-ethyl-5,5-dimethyl-, 5,5-Dimethyl-2-ethyl-1,3-dioxane, <em>m</em>-Dioxane, 2-ethyl-5,5-dimethyl-; object_uuid=fo-1032d0819add18a3
`cas_match_labels`	`None`	`{'768-58-1': 'exactMatch'}`	group_key=2-ethyl-5,5-dimethyl-1,3-dioxane\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'768-58-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1032d0819add18a3: {'768-58-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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