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Geranyl acetate

UUID fb04c1bf-22a8-4f19-b986-179288770955
Flow Object IDfo-7a3bb40c7cc18631
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 105-87-3
EC Numbers 203-341-5
prefLabel ⓘ
Language Value Provenance
en Geranyl acetate
altLabel ⓘ
Language Value Provenance
en (2E)-3,7-dimethylocta-2,6-dien-1-yl acetate
en (2E)-geranyl acetate
en trans-3,7-dimethyl-2,6-octadien-1-yl acetate
en (<em>E</em>)-3,7-Dimethyl-2,6-octadien-1-ol acetate
en (<em>E</em>)-3,7-Dimethyl-2,6-octadienyl acetate
en (<em>E</em>)-3,7-Dimethylocta-2,6-dien-1-yl acetate
en 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2<em>E</em>)-
en 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2<em>E</em>)-
en 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (<em>E</em>)-
en 3,7-Dimethyl-2,6-octadien-1-ol acetate
en <em>trans</em>-1-Acetoxy-3,7-dimethyl-2,6-octadiene
en <em>trans</em>-3,7-Dimethyl-2,6-octadien-1-yl acetate
en <em>trans</em>-Geranyl acetate
en Acetic acid (2<em>E</em>)-3,7-dimethyl-2,6-octadienyl ester
en Acetic acid geraniol ester
en Acetic acid geranyl ester
en Bay pine (oyster) oil
en Geraniol acetate
en Geranyl ethanoate
en NSC 2584
en β-Geranyl acetate
Definitions
Language Value Provenance
en A monoterpenoid that is the acetate ester derivative of geraniol.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey HIGQPQRQIQDZMP-DHZHZOJOSA-N
InChI InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
IUPAC name [(2E)-3,7-dimethylocta-2,6-dienyl] acetate, [(2E)-3,7-dimethylocta-2,6-dienyl] ethanoate, acetic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester
Molecular formula C12H20O2
Molecular mass 196.29
Monoisotopic mass 196.14633
SMILES CC(=CCC/C(=C/COC(=O)C)/C)C, CC(=CCCC(=CCOC(=O)C)C)C, CC(=O)OC/C=C(C)CCC=C(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fb04c1bf-22a8-4f19-b986-179288770955 3,7-dimethylocta-2,6-dien-1-yl acetate (e)-

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3,7-dimethylocta-2,6-dien-1-yl acetate (e)- Emissions/Emissions to air/Emissions to air, unspecified kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=3,7-dimethylocta-2,6-dien-1-ylacetate(e)-||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=105-87-3; added Common Chemistry CAS names as altLabel: (<em>E</em>)-3,7-Dimethyl-2,6-octadien-1-ol acetate, (<em>E</em>)-3,7-Dimethyl-2,6-octadienyl acetate, (<em>E</em>)-3,7-Dimethylocta-2,6-dien-1-yl acetate, 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2<em>E</em>)-, 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2<em>E</em>)-, 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (<em>E</em>)-, 3,7-Dimethyl-2,6-octadien-1-ol acetate, <em>trans</em>-1-Acetoxy-3,7-dimethyl-2,6-octadiene, <em>trans</em>-3,7-Dimethyl-2,6-octadien-1-yl acetate, <em>trans</em>-Geranyl acetate, Acetic acid (2<em>E</em>)-3,7-dimethyl-2,6-octadienyl ester, Acetic acid geraniol ester, Acetic acid geranyl ester, Bay pine (oyster) oil, Geraniol acetate, Geranyl ethanoate, NSC 2584, β-Geranyl acetate; object_uuid=fo-7a3bb40c7cc18631
cas_match_labels 1 — consensus_match group_key=3,7-dimethylocta-2,6-dien-1-ylacetate(e)-||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory']; cas_sources={'105-87-3': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7a3bb40c7cc18631: {'105-87-3': 'exactMatch'}
prefLabel 1 — consensus_match cas=105-87-3; cc_chebi_agreed_name='Geranyl acetate'; object_uuid=fo-7a3bb40c7cc18631

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '3,7-dimethylocta-2,6-dien-1-yl Acetate (e)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Geranyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=105-87-3; cc_chebi_agreed_name='Geranyl acetate'; object_uuid=fo-7a3bb40c7cc18631
altLabel [{'@value': '(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_5331', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(2E)-geranyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2E)-geranyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_5331', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'trans-3,7-dimethyl-2,6-octadien-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:trans-3,7-dimethyl-2,6-octadien-1-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_5331', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_5331', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(2E)-geranyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2E)-geranyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_5331', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'trans-3,7-dimethyl-2,6-octadien-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:trans-3,7-dimethyl-2,6-octadien-1-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_5331', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,7-dimethylocta-2,6-dien-1-yl Acetate (e)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=105-87-3; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-7a3bb40c7cc18631
altLabel [{'@value': '(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_5331', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(2E)-geranyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2E)-geranyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_5331', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'trans-3,7-dimethyl-2,6-octadien-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:trans-3,7-dimethyl-2,6-octadien-1-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_5331', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,7-dimethylocta-2,6-dien-1-yl Acetate (e)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_5331', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(2E)-geranyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2E)-geranyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_5331', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'trans-3,7-dimethyl-2,6-octadien-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:trans-3,7-dimethyl-2,6-octadien-1-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_5331', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(<em>E</em>)-3,7-Dimethyl-2,6-octadien-1-ol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-87-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>E</em>)-3,7-Dimethyl-2,6-octadienyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-87-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>E</em>)-3,7-Dimethylocta-2,6-dien-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-87-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2<em>E</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-87-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2<em>E</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-87-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (<em>E</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-87-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,7-Dimethyl-2,6-octadien-1-ol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-87-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>trans</em>-1-Acetoxy-3,7-dimethyl-2,6-octadiene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-87-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>trans</em>-3,7-Dimethyl-2,6-octadien-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-87-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>trans</em>-Geranyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-87-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid (2<em>E</em>)-3,7-dimethyl-2,6-octadienyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-87-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid geraniol ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-87-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid geranyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-87-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bay pine (oyster) oil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-87-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Geraniol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-87-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Geranyl ethanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-87-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 2584', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-87-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'β-Geranyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-87-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-87-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3,7-dimethylocta-2,6-dien-1-ylacetate(e)-||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=105-87-3; added Common Chemistry CAS names as altLabel: (<em>E</em>)-3,7-Dimethyl-2,6-octadien-1-ol acetate, (<em>E</em>)-3,7-Dimethyl-2,6-octadienyl acetate, (<em>E</em>)-3,7-Dimethylocta-2,6-dien-1-yl acetate, 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2<em>E</em>)-, 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2<em>E</em>)-, 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (<em>E</em>)-, 3,7-Dimethyl-2,6-octadien-1-ol acetate, <em>trans</em>-1-Acetoxy-3,7-dimethyl-2,6-octadiene, <em>trans</em>-3,7-Dimethyl-2,6-octadien-1-yl acetate, <em>trans</em>-Geranyl acetate, Acetic acid (2<em>E</em>)-3,7-dimethyl-2,6-octadienyl ester, Acetic acid geraniol ester, Acetic acid geranyl ester, Bay pine (oyster) oil, Geraniol acetate, Geranyl ethanoate, NSC 2584, β-Geranyl acetate; object_uuid=fo-7a3bb40c7cc18631
cas_match_labels None {'105-87-3': 'exactMatch'} group_key=3,7-dimethylocta-2,6-dien-1-ylacetate(e)-||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory']; cas_sources={'105-87-3': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7a3bb40c7cc18631: {'105-87-3': '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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    "media": "Air",
    "strata": "Unknown"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.045584
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  "source": "EF 3.1",
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