Cis-3,5,5-trimethylcyclohexanol

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Cis-3,5,5-trimethylcyclohexanol

UUID 98b5109d-27de-4f1a-849d-06360808f46f

Flow Object ID fo-83f4368e5a600ac6

Source EF 3.1

Context Environmental → Air → Ground level → Urban (>1000 people/square mile)

CAS Numbers 933-48-2

EC Numbers 213-268-0

prefLabel

Language	Value	Provenance
`en`	`Cis-3,5,5-trimethylcyclohexanol`

altLabel ⓘ

Language	Value	Provenance
`en`	`<em>cis</em>-3,3,5-Trimethylcyclohexanol`
`en`	`<em>cis</em>-3,5,5-Trimethylcyclohexanol`
`en`	`<em>rel</em>-(1<em>R</em>,5<em>R</em>)-3,3,5-Trimethylcyclohexanol`
`en`	`Cyclohexanol, 3,3,5-trimethyl-, (1<em>R</em>,5<em>R</em>)-<em>rel</em>-`
`en`	`Cyclohexanol, 3,3,5-trimethyl-, <em>cis</em>-`
`en`	`Trixanol`

References

Shared Properties

Predicate	Value
InChIKey	`ATNNDPCZMYLOOB-UHFFFAOYSA-N, BRRVXFOKWJKTGG-HTQZYQBOSA-N, BRRVXFOKWJKTGG-JGVFFNPUSA-N, BRRVXFOKWJKTGG-SFYZADRCSA-N, BRRVXFOKWJKTGG-UHFFFAOYSA-N, BRRVXFOKWJKTGG-YUMQZZPRSA-N`
InChI	`InChI=1S/C14H10N2O4/c1-15-8-5-10-13(6-11(8)17)20-12-3-2-7(14(18)19)4-9(12)16-10/h2-6,15H,1H3,(H,18,19), InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3, InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3/t7-,8+/m0/s1, InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3/t7-,8+/m1/s1, InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3/t7-,8-/m0/s1, InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3/t7-,8-/m1/s1`
IUPAC name	3,3,5-trimethyl-1-cyclohexanol, 3,3,5-trimethylcyclohexan-1-ol, 3,3,5-trimethylcyclohexanol, 7-keto-8-(methylamino)phenoxazine-2-carboxylic acid, 8-(methylamino)-7-oxidanylidene-phenoxazine-2-carboxylic acid, 8-(methylamino)-7-oxo-2-phenoxazinecarboxylic acid, 8-(methylamino)-7-oxo-phenoxazine-2-carboxylic acid, 8-(methylamino)-7-oxophenoxazine-2-carboxylic acid, cis-(1R,5R)-3,3,5-trimethyl-1-cyclohexanol, cis-(1R,5R)-3,3,5-trimethylcyclohexan-1-ol, cis-(1R,5R)-3,3,5-trimethylcyclohexanol, cis-(1S,5S)-3,3,5-trimethyl-1-cyclohexanol, cis-(1S,5S)-3,3,5-trimethylcyclohexan-1-ol, cis-(1S,5S)-3,3,5-trimethylcyclohexanol, trans-(1R,5S)-3,3,5-trimethyl-1-cyclohexanol, trans-(1R,5S)-3,3,5-trimethylcyclohexan-1-ol, trans-(1R,5S)-3,3,5-trimethylcyclohexanol, trans-(1S,5R)-3,3,5-trimethyl-1-cyclohexanol, trans-(1S,5R)-3,3,5-trimethylcyclohexan-1-ol, trans-(1S,5R)-3,3,5-trimethylcyclohexanol
Molecular formula	`C14H10N2O4, C9H18O`
SMILES	`CC1CC(CC(C1)(C)C)O, CNC1=CC2=NC3=C(C=CC(=C3)C(=O)O)OC2=CC1=O, C[C@@H]1C[C@@H](CC(C1)(C)C)O, C[C@@H]1C[C@H](CC(C1)(C)C)O, C[C@H]1C[C@@H](CC(C1)(C)C)O, C[C@H]1C[C@H](CC(C1)(C)C)O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`98b5109d-27de-4f1a-849d-06360808f46f`	cis-3,5,5-trimethylcyclohexanol

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	cis-3,5,5-trimethylcyclohexanol	Emissions/Emissions to air/Emissions to urban air close to ground	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=cis-3,5,5-trimethylcyclohexanol\|\|dimension=Environmental > media=Water > water_body=Surface water; cas=933-48-2; added Common Chemistry CAS names as altLabel: <em>cis</em>-3,3,5-Trimethylcyclohexanol, <em>cis</em>-3,5,5-Trimethylcyclohexanol, <em>rel</em>-(1<em>R</em>,5<em>R</em>)-3,3,5-Trimethylcyclohexanol, Cyclohexanol, 3,3,5-trimethyl-, (1<em>R</em>,5<em>R</em>)-<em>rel</em>-, Cyclohexanol, 3,3,5-trimethyl-, <em>cis</em>-, Trixanol; object_uuid=fo-83f4368e5a600ac6
`cas_match_labels`	1	`—`	consensus_match	group_key=cis-3,5,5-trimethylcyclohexanol\|\|dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-48-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-83f4368e5a600ac6: {'933-48-2': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Urban (>1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '<em>cis</em>-3,3,5-Trimethylcyclohexanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:933-48-2', 'https://commonchemistry.cas.org/detail?cas_rn=933-48-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>cis</em>-3,5,5-Trimethylcyclohexanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:933-48-2', 'https://commonchemistry.cas.org/detail?cas_rn=933-48-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>rel</em>-(1<em>R</em>,5<em>R</em>)-3,3,5-Trimethylcyclohexanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:933-48-2', 'https://commonchemistry.cas.org/detail?cas_rn=933-48-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexanol, 3,3,5-trimethyl-, (1<em>R</em>,5<em>R</em>)-<em>rel</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:933-48-2', 'https://commonchemistry.cas.org/detail?cas_rn=933-48-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexanol, 3,3,5-trimethyl-, <em>cis</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:933-48-2', 'https://commonchemistry.cas.org/detail?cas_rn=933-48-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trixanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:933-48-2', 'https://commonchemistry.cas.org/detail?cas_rn=933-48-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=cis-3,5,5-trimethylcyclohexanol\|\|dimension=Environmental > media=Water > water_body=Surface water; cas=933-48-2; added Common Chemistry CAS names as altLabel: <em>cis</em>-3,3,5-Trimethylcyclohexanol, <em>cis</em>-3,5,5-Trimethylcyclohexanol, <em>rel</em>-(1<em>R</em>,5<em>R</em>)-3,3,5-Trimethylcyclohexanol, Cyclohexanol, 3,3,5-trimethyl-, (1<em>R</em>,5<em>R</em>)-<em>rel</em>-, Cyclohexanol, 3,3,5-trimethyl-, <em>cis</em>-, Trixanol; object_uuid=fo-83f4368e5a600ac6
`cas_match_labels`	`None`	`{'933-48-2': 'exactMatch'}`	group_key=cis-3,5,5-trimethylcyclohexanol\|\|dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-48-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-83f4368e5a600ac6: {'933-48-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "3,3,5-trimethylcyclohexan-1-ol",
        "3,3,5-trimethylcyclohexanol",
        "7-keto-8-(methylamino)phenoxazine-2-carboxylic acid",
        "8-(methylamino)-7-oxidanylidene-phenoxazine-2-carboxylic acid",
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        "cis-(1R,5R)-3,3,5-trimethylcyclohexanol",
        "cis-(1S,5S)-3,3,5-trimethyl-1-cyclohexanol",
        "cis-(1S,5S)-3,3,5-trimethylcyclohexan-1-ol",
        "cis-(1S,5S)-3,3,5-trimethylcyclohexanol",
        "trans-(1R,5S)-3,3,5-trimethyl-1-cyclohexanol",
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