1,3,3-Trimethyl-2-norbornanyl acetate

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1,3,3-Trimethyl-2-norbornanyl acetate

UUID 98025dde-8ab5-4765-a7bc-b6451cf4d848

Flow Object ID fo-cc8d3f1c80e11ee8

Source EF 3.1

Context Environmental → Water → Surface water

CAS Numbers 4057-31-2

EC Numbers 807-751-0

prefLabel

Language	Value	Provenance
`en`	`1,3,3-Trimethyl-2-norbornanyl acetate`

altLabel ⓘ

Language	Value	Provenance
`en`	`(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate`
`en`	`2-Norbornanol, 1,3,3-trimethyl-, acetate, <em>endo</em>-`
`en`	`<em>endo</em>-Fenchyl acetate`
`en`	`Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, 2-acetate, (1<em>R</em>,2<em>R</em>,4<em>S</em>)-<em>rel</em>-`
`en`	`Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, acetate, (1<em>R</em>,2<em>R</em>,4<em>S</em>)-<em>rel</em>-`
`en`	`Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, acetate, <em>endo</em>-`
`en`	`α-Fenchyl acetate`
`en`	`(1r,2r,4s)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl Acetate`

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`JUWUWIGZUVEFQB-UHFFFAOYSA-N`
InChI	`InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3`
IUPAC name	`(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate, (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) ethanoate, (1,3,3-trimethylnorbornan-2-yl) acetate, acetic acid (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) ester, acetic acid (1,3,3-trimethylnorbornan-2-yl) ester`
Molecular formula	`C12H20O2`
Molecular mass	`196.29`
Monoisotopic mass	`196.14633`
SMILES	`CC(=O)OC1C(C2CCC1(C2)C)(C)C, CC(=O)OC1C2(C)CCC(C2)C1(C)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`98025dde-8ab5-4765-a7bc-b6451cf4d848`	(1r,2r,4s)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl acetate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	(1r,2r,4s)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl acetate	Emissions/Emissions to water/Emissions to fresh 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=(1r,2r,4s)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ylacetate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=4057-31-2; added Common Chemistry CAS names as altLabel: 2-Norbornanol, 1,3,3-trimethyl-, acetate, <em>endo</em>-, <em>endo</em>-Fenchyl acetate, Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, 2-acetate, (1<em>R</em>,2<em>R</em>,4<em>S</em>)-<em>rel</em>-, Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, acetate, (1<em>R</em>,2<em>R</em>,4<em>S</em>)-<em>rel</em>-, Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, acetate, <em>endo</em>-, α-Fenchyl acetate; object_uuid=fo-cc8d3f1c80e11ee8
`cas_match_labels`	1	`—`	consensus_match	group_key=(1r,2r,4s)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ylacetate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'pubchem']; cas_sources={'4057-31-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cc8d3f1c80e11ee8: {'4057-31-2': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Surface water

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`[{'@value': '(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate', 'http://purl.obolibrary.org/obo/CHEBI_172037', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]`	[{'@value': '(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate', 'http://purl.obolibrary.org/obo/CHEBI_172037', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Norbornanol, 1,3,3-trimethyl-, acetate, <em>endo</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4057-31-2', 'https://commonchemistry.cas.org/detail?cas_rn=4057-31-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>endo</em>-Fenchyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4057-31-2', 'https://commonchemistry.cas.org/detail?cas_rn=4057-31-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, 2-acetate, (1<em>R</em>,2<em>R</em>,4<em>S</em>)-<em>rel</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4057-31-2', 'https://commonchemistry.cas.org/detail?cas_rn=4057-31-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, acetate, (1<em>R</em>,2<em>R</em>,4<em>S</em>)-<em>rel</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4057-31-2', 'https://commonchemistry.cas.org/detail?cas_rn=4057-31-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, acetate, <em>endo</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4057-31-2', 'https://commonchemistry.cas.org/detail?cas_rn=4057-31-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Fenchyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4057-31-2', 'https://commonchemistry.cas.org/detail?cas_rn=4057-31-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=(1r,2r,4s)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ylacetate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=4057-31-2; added Common Chemistry CAS names as altLabel: 2-Norbornanol, 1,3,3-trimethyl-, acetate, <em>endo</em>-, <em>endo</em>-Fenchyl acetate, Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, 2-acetate, (1<em>R</em>,2<em>R</em>,4<em>S</em>)-<em>rel</em>-, Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, acetate, (1<em>R</em>,2<em>R</em>,4<em>S</em>)-<em>rel</em>-, Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, acetate, <em>endo</em>-, α-Fenchyl acetate; object_uuid=fo-cc8d3f1c80e11ee8
`cas_match_labels`	`None`	`{'4057-31-2': 'exactMatch'}`	group_key=(1r,2r,4s)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ylacetate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'pubchem']; cas_sources={'4057-31-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cc8d3f1c80e11ee8: {'4057-31-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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