5-methyl-tetrahydro-2-benzofuran-1,3-dione

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5-methyl-tetrahydro-2-benzofuran-1,3-dione

UUID d4cb4020-9de0-4e20-8fba-0232baf6b478

Flow Object ID fo-2994dbda3bd8d877

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 34090-76-1

EC Numbers 251-823-9

prefLabel

Language	Value	Provenance
`en`	`5-methyl-tetrahydro-2-benzofuran-1,3-dione`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,3-Isobenzofurandione, tetrahydro-5-methyl-`
`en`	`4-Methyltetrahydrophthalic acid anhydride`
`en`	`5-Methyltetrahydroisobenzofuran-1,3-dione`
`en`	`Cyclohexene-1,2-dicarboxylic anhydride, 4-methyl-`
`en`	`Tetrahydro-5-methyl-1,3-isobenzofurandione`

References

Shared Properties

Predicate	Value
InChIKey	`FKBMTBAXDISZGN-UHFFFAOYSA-N, OEMSKMUAMXLNKL-RQJHMYQMSA-N, OEMSKMUAMXLNKL-UHFFFAOYSA-N, PQSSMCCJVRWTRS-UHFFFAOYSA-N, XJMUIXMLTVKITM-UHFFFAOYSA-N`
InChI	`InChI=1S/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2,6-7H,3-4H2,1H3, InChI=1S/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2,6-7H,3-4H2,1H3/t6-,7+/m1/s1, InChI=1S/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h3,5,7H,2,4H2,1H3, InChI=1S/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5H,2-4H2,1H3, InChI=1S/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3`
IUPAC name	(3aS,7aR)-5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione, (3aS,7aR)-5-methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione, (3aS,7aR)-5-methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-quinone, 5-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione, 5-methyl-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione, 5-methyl-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-quinone, 5-methyl-3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione, 5-methyl-3a,4,5,6-tetrahydroisobenzofuran-1,3-dione, 5-methyl-3a,4,5,6-tetrahydroisobenzofuran-1,3-quinone, 5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione, 5-methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione, 5-methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-quinone, 5-methyl-4,5,6,7-tetrahydro-2-benzofuran-1,3-dione, 5-methyl-4,5,6,7-tetrahydroisobenzofuran-1,3-dione, 5-methyl-4,5,6,7-tetrahydroisobenzofuran-1,3-quinone
Molecular formula	`C9H10O3, C9H12O3`
SMILES	`CC1=CCC2C(C1)C(=O)OC2=O, CC1=CC[C@@H]2[C@H](C1)C(=O)OC2=O, CC1CC=C2C(C1)C(=O)OC2=O, CC1CCC2=C(C1)C(=O)OC2=O, CC1CCC2C(C1)C(=O)OC2=O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`d4cb4020-9de0-4e20-8fba-0232baf6b478`	5-methyl-tetrahydro-2-benzofuran-1,3-dione

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	5-methyl-tetrahydro-2-benzofuran-1,3-dione	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`	1	`—`	consensus_match	group_key=5-methyl-tetrahydro-2-benzofuran-1,3-dione\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=34090-76-1; added Common Chemistry CAS names as altLabel: 1,3-Isobenzofurandione, tetrahydro-5-methyl-, 4-Methyltetrahydrophthalic acid anhydride, 5-Methyltetrahydroisobenzofuran-1,3-dione, Cyclohexene-1,2-dicarboxylic anhydride, 4-methyl-, Tetrahydro-5-methyl-1,3-isobenzofurandione; object_uuid=fo-2994dbda3bd8d877
`cas_match_labels`	1	`—`	consensus_match	group_key=5-methyl-tetrahydro-2-benzofuran-1,3-dione\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'34090-76-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-2994dbda3bd8d877: {'34090-76-1': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1,3-Isobenzofurandione, tetrahydro-5-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34090-76-1', 'https://commonchemistry.cas.org/detail?cas_rn=34090-76-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Methyltetrahydrophthalic acid anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34090-76-1', 'https://commonchemistry.cas.org/detail?cas_rn=34090-76-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Methyltetrahydroisobenzofuran-1,3-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34090-76-1', 'https://commonchemistry.cas.org/detail?cas_rn=34090-76-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexene-1,2-dicarboxylic anhydride, 4-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34090-76-1', 'https://commonchemistry.cas.org/detail?cas_rn=34090-76-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tetrahydro-5-methyl-1,3-isobenzofurandione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34090-76-1', 'https://commonchemistry.cas.org/detail?cas_rn=34090-76-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=5-methyl-tetrahydro-2-benzofuran-1,3-dione\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=34090-76-1; added Common Chemistry CAS names as altLabel: 1,3-Isobenzofurandione, tetrahydro-5-methyl-, 4-Methyltetrahydrophthalic acid anhydride, 5-Methyltetrahydroisobenzofuran-1,3-dione, Cyclohexene-1,2-dicarboxylic anhydride, 4-methyl-, Tetrahydro-5-methyl-1,3-isobenzofurandione; object_uuid=fo-2994dbda3bd8d877
`cas_match_labels`	`None`	`{'34090-76-1': 'exactMatch'}`	group_key=5-methyl-tetrahydro-2-benzofuran-1,3-dione\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'34090-76-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-2994dbda3bd8d877: {'34090-76-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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