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Ethyl 2-methylbutyrate

UUID 47296570-1307-4802-ab3e-62b1f889e753
Deprecated yes
Replaced By 25e3284b-0089-4c5c-848c-dbe29dc41217
Flow Object IDfo-3997bff3fd7220b1
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 7452-79-1
EC Numbers 231-225-4
prefLabel
Language Value Provenance
en Ethyl 2-methylbutyrate
altLabel ⓘ
Language Value Provenance
en 2-methylbutanoic acid ethyl ester
en butyric acid, 2-methyl-, ethyl ester
en ethyl 2-methylbutanoate
en ethyl alpha-methylbutyrate
en (±)-Ethyl 2-methylbutanoate
en 2-Methylbutyric acid ethyl ester
en Ethyl α-methylbutyrate
en NSC 1103
en Butanoic Acid, 2-methyl-, Ethyl Ester
Definitions
Language Value Provenance
en A fatty acid ethyl ester obtained by the formal condensation of 2-methylbutyric acid with ethanol. It is a constituent of the aroma of wines, strawberries, blueberries, and apples.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey HCRBXQFHJMCTLF-UHFFFAOYSA-N
InChI InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3
IUPAC name 2-methylbutanoic acid ethyl ester, 2-methylbutyric acid ethyl ester, ethyl 2-methylbutanoate
Molecular formula C7H14O2
Molecular mass 130.187
Monoisotopic mass 130.09938
SMILES CCC(C)C(=O)OCC, CCOC(=O)C(C)CC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 47296570-1307-4802-ab3e-62b1f889e753 butanoic acid, 2-methyl-, ethyl ester

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=butanoicacid,2-methyl-,ethylester||dimension=Environmental > media=Water > water_body=Unknown; cas=7452-79-1; added Common Chemistry CAS names as altLabel: (±)-Ethyl 2-methylbutanoate, 2-Methylbutyric acid ethyl ester, Ethyl 2-methylbutyrate, Ethyl α-methylbutyrate, NSC 1103; object_uuid=fo-3997bff3fd7220b1
cas_match_labels 1 — consensus_match group_key=butanoicacid,2-methyl-,ethylester||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'7452-79-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3997bff3fd7220b1: {'7452-79-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '2-methylbutanoic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methylbutanoic acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_88452', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'butyric acid, 2-methyl-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:butyric acid, 2-methyl-, ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_88452', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl 2-methylbutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl 2-methylbutanoate', 'http://purl.obolibrary.org/obo/CHEBI_88452', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl alpha-methylbutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl alpha-methylbutyrate', 'http://purl.obolibrary.org/obo/CHEBI_88452', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2-methylbutanoic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methylbutanoic acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_88452', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'butyric acid, 2-methyl-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:butyric acid, 2-methyl-, ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_88452', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl 2-methylbutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl 2-methylbutanoate', 'http://purl.obolibrary.org/obo/CHEBI_88452', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl alpha-methylbutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl alpha-methylbutyrate', 'http://purl.obolibrary.org/obo/CHEBI_88452', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(±)-Ethyl 2-methylbutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7452-79-1', 'https://commonchemistry.cas.org/detail?cas_rn=7452-79-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Methylbutyric acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7452-79-1', 'https://commonchemistry.cas.org/detail?cas_rn=7452-79-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 2-methylbutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7452-79-1', 'https://commonchemistry.cas.org/detail?cas_rn=7452-79-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl α-methylbutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7452-79-1', 'https://commonchemistry.cas.org/detail?cas_rn=7452-79-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 1103', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7452-79-1', 'https://commonchemistry.cas.org/detail?cas_rn=7452-79-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=butanoicacid,2-methyl-,ethylester||dimension=Environmental > media=Water > water_body=Unknown; cas=7452-79-1; added Common Chemistry CAS names as altLabel: (±)-Ethyl 2-methylbutanoate, 2-Methylbutyric acid ethyl ester, Ethyl 2-methylbutyrate, Ethyl α-methylbutyrate, NSC 1103; object_uuid=fo-3997bff3fd7220b1
cas_match_labels None {'7452-79-1': 'exactMatch'} group_key=butanoicacid,2-methyl-,ethylester||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'7452-79-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3997bff3fd7220b1: {'7452-79-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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