3-methyl-4-oxobut-2-en-1-yl Acetate

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3-methyl-4-oxobut-2-en-1-yl Acetate

UUID 3df711b7-c9ab-42d9-a61e-2d1306066419

Flow Object ID fo-44026f66374e775d

Source EF 3.1

Context Environmental → Water → Surface water

CAS Numbers 26586-02-7

EC Numbers 247-825-4

prefLabel

Language	Value	Provenance
`en`	`3-methyl-4-oxobut-2-en-1-yl Acetate`

altLabel ⓘ

Language	Value	Provenance
`en`	`(2<em>E</em>)-4-(Acetyloxy)-2-methyl-2-butenal`
`en`	`(<em>E</em>)-4-Acetoxy-2-methyl-2-butenal`
`en`	`(E)-3-Formyl-2-butenyl acetate`
`en`	`(E)-3-Methyl-4-oxobut-2-en-1-yl acetate`
`en`	`2-Butenal, 4-(acetyloxy)-2-methyl-, (2<em>E</em>)-`
`en`	`2-Butenal, 4-(acetyloxy)-2-methyl-, (<em>E</em>)-`
`en`	`Crotonaldehyde, 4-hydroxy-2-methyl-, acetate, (<em>E</em>)-`
`en`	`γ-Acetoxytiglic aldehyde`
`en`	`γ-Acetoxytiglinaldehyde`

References

Shared Properties

Predicate	Value
InChIKey	`LPDDKAJRWGPGSI-UHFFFAOYSA-N, LPDDKAJRWGPGSI-ZZXKWVIFSA-N`
InChI	`InChI=1S/C7H10O3/c1-6(5-8)3-4-10-7(2)9/h3,5H,4H2,1-2H3, InChI=1S/C7H10O3/c1-6(5-8)3-4-10-7(2)9/h3,5H,4H2,1-2H3/b6-3+`
IUPAC name	`(3-methyl-4-oxidanylidene-but-2-enyl) ethanoate, (3-methyl-4-oxo-but-2-enyl) acetate, (3-methyl-4-oxobut-2-enyl) acetate, [(E)-3-methyl-4-oxidanylidene-but-2-enyl] ethanoate, [(E)-3-methyl-4-oxo-but-2-enyl] acetate, [(E)-3-methyl-4-oxobut-2-enyl] acetate, acetic acid (3-methyl-4-oxobut-2-enyl) ester, acetic acid (4-keto-3-methyl-but-2-enyl) ester, acetic acid [(E)-3-methyl-4-oxobut-2-enyl] ester, acetic acid [(E)-4-keto-3-methyl-but-2-enyl] ester`
Molecular formula	`C7H10O3`
SMILES	`C/C(=C\COC(=O)C)/C=O, CC(=CCOC(=O)C)C=O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`3df711b7-c9ab-42d9-a61e-2d1306066419`	3-methyl-4-oxobut-2-en-1-yl acetate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3-methyl-4-oxobut-2-en-1-yl acetate	Emissions/Emissions to water/Emissions to fresh water	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-methyl-4-oxobut-2-en-1-ylacetate\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=26586-02-7; added Common Chemistry CAS names as altLabel: (2<em>E</em>)-4-(Acetyloxy)-2-methyl-2-butenal, (<em>E</em>)-4-Acetoxy-2-methyl-2-butenal, (E)-3-Formyl-2-butenyl acetate, (E)-3-Methyl-4-oxobut-2-en-1-yl acetate, 2-Butenal, 4-(acetyloxy)-2-methyl-, (2<em>E</em>)-, 2-Butenal, 4-(acetyloxy)-2-methyl-, (<em>E</em>)-, Crotonaldehyde, 4-hydroxy-2-methyl-, acetate, (<em>E</em>)-, γ-Acetoxytiglic aldehyde, γ-Acetoxytiglinaldehyde; object_uuid=fo-44026f66374e775d
`cas_match_labels`	1	`—`	consensus_match	group_key=3-methyl-4-oxobut-2-en-1-ylacetate\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26586-02-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-44026f66374e775d: {'26586-02-7': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Surface water

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(2<em>E</em>)-4-(Acetyloxy)-2-methyl-2-butenal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:26586-02-7', 'https://commonchemistry.cas.org/detail?cas_rn=26586-02-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>E</em>)-4-Acetoxy-2-methyl-2-butenal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:26586-02-7', 'https://commonchemistry.cas.org/detail?cas_rn=26586-02-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(E)-3-Formyl-2-butenyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:26586-02-7', 'https://commonchemistry.cas.org/detail?cas_rn=26586-02-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(E)-3-Methyl-4-oxobut-2-en-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:26586-02-7', 'https://commonchemistry.cas.org/detail?cas_rn=26586-02-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Butenal, 4-(acetyloxy)-2-methyl-, (2<em>E</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:26586-02-7', 'https://commonchemistry.cas.org/detail?cas_rn=26586-02-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Butenal, 4-(acetyloxy)-2-methyl-, (<em>E</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:26586-02-7', 'https://commonchemistry.cas.org/detail?cas_rn=26586-02-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Crotonaldehyde, 4-hydroxy-2-methyl-, acetate, (<em>E</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:26586-02-7', 'https://commonchemistry.cas.org/detail?cas_rn=26586-02-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'γ-Acetoxytiglic aldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:26586-02-7', 'https://commonchemistry.cas.org/detail?cas_rn=26586-02-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'γ-Acetoxytiglinaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:26586-02-7', 'https://commonchemistry.cas.org/detail?cas_rn=26586-02-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3-methyl-4-oxobut-2-en-1-ylacetate\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=26586-02-7; added Common Chemistry CAS names as altLabel: (2<em>E</em>)-4-(Acetyloxy)-2-methyl-2-butenal, (<em>E</em>)-4-Acetoxy-2-methyl-2-butenal, (E)-3-Formyl-2-butenyl acetate, (E)-3-Methyl-4-oxobut-2-en-1-yl acetate, 2-Butenal, 4-(acetyloxy)-2-methyl-, (2<em>E</em>)-, 2-Butenal, 4-(acetyloxy)-2-methyl-, (<em>E</em>)-, Crotonaldehyde, 4-hydroxy-2-methyl-, acetate, (<em>E</em>)-, γ-Acetoxytiglic aldehyde, γ-Acetoxytiglinaldehyde; object_uuid=fo-44026f66374e775d
`cas_match_labels`	`None`	`{'26586-02-7': 'exactMatch'}`	group_key=3-methyl-4-oxobut-2-en-1-ylacetate\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26586-02-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-44026f66374e775d: {'26586-02-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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