(1r,5s)-2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl) Ethyl Acetate

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(1r,5s)-2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl) Ethyl Acetate

UUID 77682841-7f84-4df8-a548-a0e2bd2b7b9c

Flow Object ID fo-0173470457218b63

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 35836-72-7

EC Numbers 800-940-9

prefLabel

Language	Value	Provenance
`en`	`(1r,5s)-2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl) Ethyl Acetate`

altLabel ⓘ

Language	Value	Provenance
`en`	`(-)-Nopyl acetate`
`en`	`Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate, (1<em>R</em>,5<em>S</em>)-`
`en`	`Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate, (1<em>R</em>)-`
`en`	`Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate, (1<em>R</em>,5<em>S</em>)-`

References

Shared Properties

Predicate	Value
InChIKey	`AWNOGHRWORTNEI-RYUDHWBXSA-N, AWNOGHRWORTNEI-UHFFFAOYSA-N`
InChI	`InChI=1S/C13H20O2/c1-9(14)15-7-6-10-4-5-11-8-12(10)13(11,2)3/h4,11-12H,5-8H2,1-3H3, InChI=1S/C13H20O2/c1-9(14)15-7-6-10-4-5-11-8-12(10)13(11,2)3/h4,11-12H,5-8H2,1-3H3/t11-,12-/m0/s1`
IUPAC name	`2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl acetate, 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl ethanoate, 2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl acetate, 2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl ethanoate, acetic acid 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl ester, acetic acid 2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl ester`
Molecular formula	`C13H20O2`
SMILES	`CC(=O)OCCC1=CCC2CC1C2(C)C, CC(=O)OCCC1=CC[C@H]2C[C@@H]1C2(C)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`77682841-7f84-4df8-a548-a0e2bd2b7b9c`	(1r,5s)-2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl) ethyl acetate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	(1r,5s)-2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl) ethyl acetate	Emissions/Emissions to air/Emissions to air, indoor	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,5s)-2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethylacetate\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=35836-72-7; added Common Chemistry CAS names as altLabel: (-)-Nopyl acetate, Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate, (1<em>R</em>,5<em>S</em>)-, Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate, (1<em>R</em>)-, Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate, (1<em>R</em>,5<em>S</em>)-; object_uuid=fo-0173470457218b63
`cas_match_labels`	1	`—`	consensus_match	group_key=(1r,5s)-2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethylacetate\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'35836-72-7': []}; assigned CAS labels from group consensus; object_uuid=fo-0173470457218b63: {'35836-72-7': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
indoor	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(-)-Nopyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:35836-72-7', 'https://commonchemistry.cas.org/detail?cas_rn=35836-72-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate, (1<em>R</em>,5<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:35836-72-7', 'https://commonchemistry.cas.org/detail?cas_rn=35836-72-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate, (1<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:35836-72-7', 'https://commonchemistry.cas.org/detail?cas_rn=35836-72-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate, (1<em>R</em>,5<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:35836-72-7', 'https://commonchemistry.cas.org/detail?cas_rn=35836-72-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=(1r,5s)-2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethylacetate\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=35836-72-7; added Common Chemistry CAS names as altLabel: (-)-Nopyl acetate, Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate, (1<em>R</em>,5<em>S</em>)-, Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate, (1<em>R</em>)-, Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate, (1<em>R</em>,5<em>S</em>)-; object_uuid=fo-0173470457218b63
`cas_match_labels`	`None`	`{'35836-72-7': 'exactMatch'}`	group_key=(1r,5s)-2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethylacetate\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'35836-72-7': []}; assigned CAS labels from group consensus; object_uuid=fo-0173470457218b63: {'35836-72-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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