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Allyl isovalerate

UUID 8a5c9c0e-f238-4525-afab-ffd364d7584c
Flow Object IDfo-3f8d12158df13e54
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 2835-39-4
EC Numbers 220-609-7
prefLabel ⓘ
Language Value Provenance
en Allyl isovalerate
altLabel ⓘ
Language Value Provenance
en Allyl 3-methylbutanoate
en Allyl 3-methylbutyrate
en Allyl isopentanoate
en Butanoic acid, 3-methyl-, 2-propen-1-yl ester
en Butanoic acid, 3-methyl-, 2-propenyl ester
en Isovaleric acid, allyl ester
en NSC 18606
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey HOMAGVUCNZNWBC-UHFFFAOYSA-N
InChI InChI=1S/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3
IUPAC name 3-methylbutanoic acid prop-2-enyl ester, 3-methylbutyric acid allyl ester, allyl 3-methylbutanoate, prop-2-enyl 3-methylbutanoate
Molecular formula C8H14O2
Molecular mass 142.198
Monoisotopic mass 142.09938
SMILES C=CCOC(=O)CC(C)C, CC(C)CC(=O)OCC=C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 8a5c9c0e-f238-4525-afab-ffd364d7584c isovaleric acid, allyl ester

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 isovaleric acid, allyl ester 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 2 — consensus_match group_key=isovalericacid,allylester||dimension=Environmental > media=Water > water_body=Unknown; cas=2835-39-4; added Common Chemistry CAS names as altLabel: Allyl 3-methylbutanoate, Allyl 3-methylbutyrate, Allyl isopentanoate, Butanoic acid, 3-methyl-, 2-propen-1-yl ester, Butanoic acid, 3-methyl-, 2-propenyl ester, Isovaleric acid, allyl ester, NSC 18606; object_uuid=fo-3f8d12158df13e54
cas_match_labels 1 — consensus_match group_key=isovalericacid,allylester||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2835-39-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3f8d12158df13e54: {'2835-39-4': 'exactMatch'}
prefLabel 1 — consensus_match cas=2835-39-4; cc_chebi_agreed_name='Allyl isovalerate'; object_uuid=fo-3f8d12158df13e54

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Isovaleric Acid, Allyl Ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Allyl isovalerate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2835-39-4'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=2835-39-4; cc_chebi_agreed_name='Allyl isovalerate'; object_uuid=fo-3f8d12158df13e54
altLabel None [{'@value': 'Isovaleric Acid, Allyl Ester', '@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=2835-39-4; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-3f8d12158df13e54
altLabel [{'@value': 'Isovaleric Acid, Allyl Ester', '@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': 'Allyl 3-methylbutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2835-39-4', 'https://commonchemistry.cas.org/detail?cas_rn=2835-39-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Allyl 3-methylbutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2835-39-4', 'https://commonchemistry.cas.org/detail?cas_rn=2835-39-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Allyl isopentanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2835-39-4', 'https://commonchemistry.cas.org/detail?cas_rn=2835-39-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanoic acid, 3-methyl-, 2-propen-1-yl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2835-39-4', 'https://commonchemistry.cas.org/detail?cas_rn=2835-39-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanoic acid, 3-methyl-, 2-propenyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2835-39-4', 'https://commonchemistry.cas.org/detail?cas_rn=2835-39-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isovaleric acid, allyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2835-39-4', 'https://commonchemistry.cas.org/detail?cas_rn=2835-39-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 18606', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2835-39-4', 'https://commonchemistry.cas.org/detail?cas_rn=2835-39-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=isovalericacid,allylester||dimension=Environmental > media=Water > water_body=Unknown; cas=2835-39-4; added Common Chemistry CAS names as altLabel: Allyl 3-methylbutanoate, Allyl 3-methylbutyrate, Allyl isopentanoate, Butanoic acid, 3-methyl-, 2-propen-1-yl ester, Butanoic acid, 3-methyl-, 2-propenyl ester, Isovaleric acid, allyl ester, NSC 18606; object_uuid=fo-3f8d12158df13e54
cas_match_labels None {'2835-39-4': 'exactMatch'} group_key=isovalericacid,allylester||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2835-39-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3f8d12158df13e54: {'2835-39-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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