2-tert-butylcyclohexyl Acetate

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2-tert-butylcyclohexyl Acetate

UUID 01be55f1-529b-488a-8428-3f608d0a2f1e

Flow Object ID fo-dd0b408523d393cd

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 20298-69-5

EC Numbers 243-718-1

prefLabel

Language	Value	Provenance
`en`	`2-tert-butylcyclohexyl Acetate`

altLabel ⓘ

Language	Value	Provenance
`en`	`<em>cis</em>-2-<em>tert</em>-Butylcyclohexyl acetate`
`en`	`Agrumex`
`en`	`Cyclohexanol, 2-(1,1-dimethylethyl)-, 1-acetate, (1<em>R</em>,2<em>R</em>)-<em>rel</em>-`
`en`	`Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate, (1<em>R</em>,2<em>R</em>)-<em>rel</em>-`
`en`	`Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate, <em>cis</em>-`
`en`	`Cyclohexanol, 2-<em>tert</em>-butyl-, acetate, <em>cis</em>-`

References

Shared Properties

Predicate	Value
InChIKey	`FINOAUDUYKVGDS-MNOVXSKESA-N, FINOAUDUYKVGDS-UHFFFAOYSA-N, FINOAUDUYKVGDS-WDEREUQCSA-N, WYMUZQJQRNMLPW-UHFFFAOYSA-N`
InChI	`InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3, InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11+/m0/s1, InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11+/m1/s1, InChI=1S/C15H11ClN2O2/c16-12-4-2-6-14(8-12)20-10-15(19)18-13-5-1-3-11(7-13)9-17/h1-8H,10H2,(H,18,19)`
IUPAC name	`(2-tert-butylcyclohexyl) acetate, (2-tert-butylcyclohexyl) ethanoate, 2-(3-chloranylphenoxy)-N-(3-cyanophenyl)ethanamide, 2-(3-chlorophenoxy)-N-(3-cyanophenyl)acetamide, [(1R,2R)-2-tert-butylcyclohexyl] acetate, [(1R,2R)-2-tert-butylcyclohexyl] ethanoate, [(1S,2S)-2-tert-butylcyclohexyl] acetate, [(1S,2S)-2-tert-butylcyclohexyl] ethanoate, acetic acid (2-tert-butylcyclohexyl) ester, acetic acid [(1R,2R)-2-tert-butylcyclohexyl] ester, acetic acid [(1S,2S)-2-tert-butylcyclohexyl] ester`
Molecular formula	`C12H22O2, C15H11ClN2O2`
SMILES	`C1=CC(=CC(=C1)NC(=O)COC2=CC(=CC=C2)Cl)C#N, CC(=O)OC1CCCCC1C(C)(C)C, CC(=O)O[C@@H]1CCCC[C@@H]1C(C)(C)C, CC(=O)O[C@H]1CCCC[C@H]1C(C)(C)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`01be55f1-529b-488a-8428-3f608d0a2f1e`	2-tert-butylcyclohexyl acetate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2-tert-butylcyclohexyl acetate	Emissions/Emissions to water/Emissions to water, 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-tert-butylcyclohexylacetate\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=20298-69-5; added Common Chemistry CAS names as altLabel: <em>cis</em>-2-<em>tert</em>-Butylcyclohexyl acetate, Agrumex, Cyclohexanol, 2-(1,1-dimethylethyl)-, 1-acetate, (1<em>R</em>,2<em>R</em>)-<em>rel</em>-, Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate, (1<em>R</em>,2<em>R</em>)-<em>rel</em>-, Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate, <em>cis</em>-, Cyclohexanol, 2-<em>tert</em>-butyl-, acetate, <em>cis</em>-; object_uuid=fo-dd0b408523d393cd
`cas_match_labels`	1	`—`	consensus_match	group_key=2-tert-butylcyclohexylacetate\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'20298-69-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-dd0b408523d393cd: {'20298-69-5': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '<em>cis</em>-2-<em>tert</em>-Butylcyclohexyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:20298-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=20298-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Agrumex', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:20298-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=20298-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexanol, 2-(1,1-dimethylethyl)-, 1-acetate, (1<em>R</em>,2<em>R</em>)-<em>rel</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:20298-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=20298-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate, (1<em>R</em>,2<em>R</em>)-<em>rel</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:20298-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=20298-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate, <em>cis</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:20298-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=20298-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexanol, 2-<em>tert</em>-butyl-, acetate, <em>cis</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:20298-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=20298-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2-tert-butylcyclohexylacetate\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=20298-69-5; added Common Chemistry CAS names as altLabel: <em>cis</em>-2-<em>tert</em>-Butylcyclohexyl acetate, Agrumex, Cyclohexanol, 2-(1,1-dimethylethyl)-, 1-acetate, (1<em>R</em>,2<em>R</em>)-<em>rel</em>-, Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate, (1<em>R</em>,2<em>R</em>)-<em>rel</em>-, Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate, <em>cis</em>-, Cyclohexanol, 2-<em>tert</em>-butyl-, acetate, <em>cis</em>-; object_uuid=fo-dd0b408523d393cd
`cas_match_labels`	`None`	`{'20298-69-5': 'exactMatch'}`	group_key=2-tert-butylcyclohexylacetate\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'20298-69-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-dd0b408523d393cd: {'20298-69-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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