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Citronellyl Acetate

UUID 55e8cf4b-2f91-48a4-a985-6c6986012eee
Flow Object IDfo-584de69400547289
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 150-84-5
EC Numbers 205-775-0
prefLabel
Language Value Provenance
en Citronellyl Acetate
altLabel ⓘ
Language Value Provenance
en 3,7-Dimethyl-6-octen-1-yl acetate
en beta-citronellol acetate
en beta-citronellyl acetate
en (±)-Citronellyl acetate
en 1-Acetoxy-3,7-dimethyloct-6-ene
en 3,7-Dimethyloct-6-enyl acetate
en 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate
en 6-Octen-1-ol, 3,7-dimethyl-, acetate
en 8-Acetoxy-2,6-dimethyl-2-octene
en <em>O</em>-Acetyl-β-citronellol
en <em>dl</em>-Citronellol acetate
en Cephrol acetate
en Citronellol acetate
en NSC 4893
en β-Citronellol acetate
en β-Citronellyl acetate
en 3,7-dimethyloct-6-en-1-yl Acetate
Definitions
Language Value Provenance
en A monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey JOZKFWLRHCDGJA-UHFFFAOYSA-N
InChI InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3
IUPAC name 3,7-dimethyloct-6-enyl acetate, 3,7-dimethyloct-6-enyl ethanoate, acetic acid 3,7-dimethyloct-6-enyl ester
Molecular formula C12H22O2
Molecular mass 198.306
Monoisotopic mass 198.16198
SMILES CC(=O)OCCC(C)CCC=C(C)C, CC(CCC=C(C)C)CCOC(=O)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 55e8cf4b-2f91-48a4-a985-6c6986012eee 3,7-dimethyloct-6-en-1-yl acetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3,7-dimethyloct-6-en-1-yl acetate Emissions/Emissions to soil/Emissions to 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=3,7-dimethyloct-6-en-1-ylacetate||dimension=Environmental > media=Water > water_body=Ocean; cas=150-84-5; added Common Chemistry CAS names as altLabel: (±)-Citronellyl acetate, 1-Acetoxy-3,7-dimethyloct-6-ene, 3,7-Dimethyloct-6-enyl acetate, 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, 6-Octen-1-ol, 3,7-dimethyl-, acetate, 8-Acetoxy-2,6-dimethyl-2-octene, <em>O</em>-Acetyl-β-citronellol, <em>dl</em>-Citronellol acetate, Cephrol acetate, Citronellol acetate, Citronellyl acetate, NSC 4893, β-Citronellol acetate, β-Citronellyl acetate; object_uuid=fo-584de69400547289
cas_match_labels 1 — consensus_match group_key=3,7-dimethyloct-6-en-1-ylacetate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'150-84-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-584de69400547289: {'150-84-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '3,7-Dimethyl-6-octen-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,7-Dimethyl-6-octen-1-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_70478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-citronellol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-citronellol acetate', 'http://purl.obolibrary.org/obo/CHEBI_70478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-citronellyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-citronellyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_70478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '3,7-Dimethyl-6-octen-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,7-Dimethyl-6-octen-1-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_70478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-citronellol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-citronellol acetate', 'http://purl.obolibrary.org/obo/CHEBI_70478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-citronellyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-citronellyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_70478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(±)-Citronellyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:150-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=150-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Acetoxy-3,7-dimethyloct-6-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:150-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=150-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,7-Dimethyloct-6-enyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:150-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=150-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '6-Octen-1-ol, 3,7-dimethyl-, 1-acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:150-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=150-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '6-Octen-1-ol, 3,7-dimethyl-, acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:150-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=150-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '8-Acetoxy-2,6-dimethyl-2-octene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:150-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=150-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>-Acetyl-β-citronellol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:150-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=150-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>dl</em>-Citronellol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:150-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=150-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cephrol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:150-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=150-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Citronellol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:150-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=150-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Citronellyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:150-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=150-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 4893', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:150-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=150-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'β-Citronellol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:150-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=150-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'β-Citronellyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:150-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=150-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3,7-dimethyloct-6-en-1-ylacetate||dimension=Environmental > media=Water > water_body=Ocean; cas=150-84-5; added Common Chemistry CAS names as altLabel: (±)-Citronellyl acetate, 1-Acetoxy-3,7-dimethyloct-6-ene, 3,7-Dimethyloct-6-enyl acetate, 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, 6-Octen-1-ol, 3,7-dimethyl-, acetate, 8-Acetoxy-2,6-dimethyl-2-octene, <em>O</em>-Acetyl-β-citronellol, <em>dl</em>-Citronellol acetate, Cephrol acetate, Citronellol acetate, Citronellyl acetate, NSC 4893, β-Citronellol acetate, β-Citronellyl acetate; object_uuid=fo-584de69400547289
cas_match_labels None {'150-84-5': 'exactMatch'} group_key=3,7-dimethyloct-6-en-1-ylacetate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'150-84-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-584de69400547289: {'150-84-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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