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Linalyl acetate, (-)-

UUID 4cac49fa-a739-4353-bb62-0481fd414ce0
Flow Object IDfo-1a393634cc712aa9
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 115-95-7
EC Numbers 204-116-4
prefLabel
Language Value Provenance
en Linalyl acetate, (-)-
altLabel ⓘ
Language Value Provenance
en (+-)-3,7-dimethylocta-1,6-dien-3-yl acetate
en (-)-linalyl acetate
en (3R)-3,7-dimethylocta-1,6-dien-3-yl acetate
en Acetic acid linalool ester
en Bergamiol
en Bergamot mint oil
en rac-3,7-dimethylocta-1,6-dien-3-yl acetate
en (±)-Linaloyl acetate
en (±)-Linalyl acetate
en 1,5-Dimethyl-1-vinyl-4-hexenyl acetate
en 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate
en 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate
en 3,7-Dimethyl-1,6-octadien-3-ol acetate
en 3,7-Dimethyl-1,6-octadien-3-yl acetate
en 3-Acetoxy-3,7-dimethyl-1,6-octadiene
en <em>dl</em>-Linalool acetate
en Bergamol
en Linalool acetate
en Linalyl acetate
en NSC 2138
en 1,5-dimethyl-1-vinylhex-4-en-1-yl Acetate
Definitions
Language Value Provenance
en A racemate comprising equimolar amounts of (R)- and (S)-linalyl acetate. It forms a principal component of the essential oils from bergamot and lavender.
en The (R)-enantiomer of linalyl acetate.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey UWKAYLJWKGQEPM-LBPRGKRZSA-N
InChI InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3/t12-/m0/s1
IUPAC name [(1R)-1,5-dimethyl-1-vinyl-hex-4-enyl] acetate, [(3R)-3,7-dimethylocta-1,6-dien-3-yl] acetate, [(3R)-3,7-dimethylocta-1,6-dien-3-yl] ethanoate, acetic acid [(1R)-1,5-dimethyl-1-vinyl-hex-4-enyl] ester, acetic acid [(3R)-3,7-dimethylocta-1,6-dien-3-yl] ester
Molecular formula C12H20O2
Molecular mass 196.29
Monoisotopic mass 196.14633
SMILES C=C[C@@](C)(CCC=C(C)C)OC(C)=O, CC(=CCCC(C)(C=C)OC(=O)C)C, CC(=CCC[C@](C)(C=C)OC(=O)C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4cac49fa-a739-4353-bb62-0481fd414ce0 1,5-dimethyl-1-vinylhex-4-en-1-yl acetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1,5-dimethyl-1-vinylhex-4-en-1-yl acetate Emissions/Emissions to soil/Emissions to non-agricultural soil 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=1,5-dimethyl-1-vinylhex-4-en-1-ylacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=115-95-7; added Common Chemistry CAS names as altLabel: (±)-Linaloyl acetate, (±)-Linalyl acetate, 1,5-Dimethyl-1-vinyl-4-hexenyl acetate, 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate, 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate, 3,7-Dimethyl-1,6-octadien-3-ol acetate, 3,7-Dimethyl-1,6-octadien-3-yl acetate, 3-Acetoxy-3,7-dimethyl-1,6-octadiene, <em>dl</em>-Linalool acetate, Bergamol, Linalool acetate, Linalyl acetate, NSC 2138; object_uuid=fo-1a393634cc712aa9
cas_match_labels 1 — consensus_match group_key=1,5-dimethyl-1-vinylhex-4-en-1-ylacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'115-95-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1a393634cc712aa9: {'115-95-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(+-)-3,7-dimethylocta-1,6-dien-3-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(+-)-3,7-dimethylocta-1,6-dien-3-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_6469', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(-)-linalyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(-)-linalyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_78334', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(3R)-3,7-dimethylocta-1,6-dien-3-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3R)-3,7-dimethylocta-1,6-dien-3-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_78334', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Acetic acid linalool ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Acetic acid linalool ester', 'http://purl.obolibrary.org/obo/CHEBI_6469', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Bergamiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Bergamiol', 'http://purl.obolibrary.org/obo/CHEBI_6469', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Bergamot mint oil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Bergamot mint oil', 'http://purl.obolibrary.org/obo/CHEBI_6469', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'rac-3,7-dimethylocta-1,6-dien-3-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:rac-3,7-dimethylocta-1,6-dien-3-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_6469', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(+-)-3,7-dimethylocta-1,6-dien-3-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(+-)-3,7-dimethylocta-1,6-dien-3-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_6469', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(-)-linalyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(-)-linalyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_78334', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(3R)-3,7-dimethylocta-1,6-dien-3-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3R)-3,7-dimethylocta-1,6-dien-3-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_78334', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Acetic acid linalool ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Acetic acid linalool ester', 'http://purl.obolibrary.org/obo/CHEBI_6469', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Bergamiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Bergamiol', 'http://purl.obolibrary.org/obo/CHEBI_6469', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Bergamot mint oil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Bergamot mint oil', 'http://purl.obolibrary.org/obo/CHEBI_6469', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'rac-3,7-dimethylocta-1,6-dien-3-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:rac-3,7-dimethylocta-1,6-dien-3-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_6469', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(±)-Linaloyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-95-7', 'https://commonchemistry.cas.org/detail?cas_rn=115-95-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(±)-Linalyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-95-7', 'https://commonchemistry.cas.org/detail?cas_rn=115-95-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,5-Dimethyl-1-vinyl-4-hexenyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-95-7', 'https://commonchemistry.cas.org/detail?cas_rn=115-95-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-95-7', 'https://commonchemistry.cas.org/detail?cas_rn=115-95-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,6-Octadien-3-ol, 3,7-dimethyl-, acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-95-7', 'https://commonchemistry.cas.org/detail?cas_rn=115-95-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,7-Dimethyl-1,6-octadien-3-ol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-95-7', 'https://commonchemistry.cas.org/detail?cas_rn=115-95-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,7-Dimethyl-1,6-octadien-3-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-95-7', 'https://commonchemistry.cas.org/detail?cas_rn=115-95-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Acetoxy-3,7-dimethyl-1,6-octadiene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-95-7', 'https://commonchemistry.cas.org/detail?cas_rn=115-95-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>dl</em>-Linalool acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-95-7', 'https://commonchemistry.cas.org/detail?cas_rn=115-95-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bergamol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-95-7', 'https://commonchemistry.cas.org/detail?cas_rn=115-95-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Linalool acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-95-7', 'https://commonchemistry.cas.org/detail?cas_rn=115-95-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Linalyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-95-7', 'https://commonchemistry.cas.org/detail?cas_rn=115-95-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 2138', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-95-7', 'https://commonchemistry.cas.org/detail?cas_rn=115-95-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1,5-dimethyl-1-vinylhex-4-en-1-ylacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=115-95-7; added Common Chemistry CAS names as altLabel: (±)-Linaloyl acetate, (±)-Linalyl acetate, 1,5-Dimethyl-1-vinyl-4-hexenyl acetate, 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate, 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate, 3,7-Dimethyl-1,6-octadien-3-ol acetate, 3,7-Dimethyl-1,6-octadien-3-yl acetate, 3-Acetoxy-3,7-dimethyl-1,6-octadiene, <em>dl</em>-Linalool acetate, Bergamol, Linalool acetate, Linalyl acetate, NSC 2138; object_uuid=fo-1a393634cc712aa9
cas_match_labels None {'115-95-7': 'exactMatch'} group_key=1,5-dimethyl-1-vinylhex-4-en-1-ylacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'115-95-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1a393634cc712aa9: {'115-95-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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  "unit": "kg",
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      "characterization_factor": 5.0878e-9
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