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4-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

UUID cd04d47e-75c2-4fc9-b33d-2daa612d77ea
Flow Object IDfo-9db326cb39191697
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 5333-84-6
EC Numbers 226-247-6
prefLabel
Language Value Provenance
en 4-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
altLabel ⓘ
Language Value Provenance
en 1,2,3,6-Tetrahydro-3-methylphthalic anhydride
en 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-
en 3-Methyl-1,2,3,6-tetrahydrophthalic anhydride
en 3-Methyl-4-cyclohexene-1,2-dicarboxylic acid anhydride
en 3-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride
en 3-Methyl-Δ<sup>4</sup>-tetrahydrophthalic anhydride
en 3-Methyltetrahydrophthalic anhydride
en 3a,4,7,7a-Tetrahydro-4-methyl-1,3-isobenzofurandione
en 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-methyl-
en Aradur 917-1
en Dicure 319
en ECH 202
en I-MTHFA
en NSC 2352
References
Shared Properties
Predicate Value
InChIKey LWMIDUUVMLBKQF-UHFFFAOYSA-N, OEMSKMUAMXLNKL-UHFFFAOYSA-N, XPEKVUUBSDFMDR-DSYKOEDSSA-N, XPEKVUUBSDFMDR-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/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2,4-7H,3H2,1H3, InChI=1S/C9H10O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-3,5-7H,4H2,1H3, InChI=1S/C9H10O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1
IUPAC name (3aR,4R,7aS)-4-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione, (3aR,4R,7aS)-4-methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione, (3aR,4R,7aS)-4-methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-quinone, 4-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione, 4-methyl-3a,4,5,7a-tetrahydroisobenzofuran-1,3-dione, 4-methyl-3a,4,5,7a-tetrahydroisobenzofuran-1,3-quinone, 4-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione, 4-methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione, 4-methyl-3a,4,7,7a-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
Molecular formula C9H10O3
Molecular mass 166.176
Monoisotopic mass 166.062994
SMILES CC1=CCC2C(=O)OC(=O)C2C1, CC1=CCC2C(C1)C(=O)OC2=O, CC1C=CCC2C1C(=O)OC2=O, CC1CC=CC2C1C(=O)OC2=O, C[C@@H]1C=CC[C@H]2[C@@H]1C(=O)OC2=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 cd04d47e-75c2-4fc9-b33d-2daa612d77ea 4-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 4-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Emissions/Emissions to water/Emissions to sea 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=4-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione||dimension=Environmental > media=Ground > geography=Agricultural; cas=5333-84-6; added Common Chemistry CAS names as altLabel: 1,2,3,6-Tetrahydro-3-methylphthalic anhydride, 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-, 3-Methyl-1,2,3,6-tetrahydrophthalic anhydride, 3-Methyl-4-cyclohexene-1,2-dicarboxylic acid anhydride, 3-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride, 3-Methyl-Δ<sup>4</sup>-tetrahydrophthalic anhydride, 3-Methyltetrahydrophthalic anhydride, 3a,4,7,7a-Tetrahydro-4-methyl-1,3-isobenzofurandione, 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-methyl-, Aradur 917-1, Dicure 319, ECH 202, I-MTHFA, NSC 2352; object_uuid=fo-9db326cb39191697
cas_match_labels 1 — consensus_match group_key=4-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5333-84-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9db326cb39191697: {'5333-84-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,2,3,6-Tetrahydro-3-methylphthalic anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5333-84-6', 'https://commonchemistry.cas.org/detail?cas_rn=5333-84-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5333-84-6', 'https://commonchemistry.cas.org/detail?cas_rn=5333-84-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-1,2,3,6-tetrahydrophthalic anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5333-84-6', 'https://commonchemistry.cas.org/detail?cas_rn=5333-84-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-4-cyclohexene-1,2-dicarboxylic acid anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5333-84-6', 'https://commonchemistry.cas.org/detail?cas_rn=5333-84-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5333-84-6', 'https://commonchemistry.cas.org/detail?cas_rn=5333-84-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-Δ<sup>4</sup>-tetrahydrophthalic anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5333-84-6', 'https://commonchemistry.cas.org/detail?cas_rn=5333-84-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyltetrahydrophthalic anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5333-84-6', 'https://commonchemistry.cas.org/detail?cas_rn=5333-84-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3a,4,7,7a-Tetrahydro-4-methyl-1,3-isobenzofurandione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5333-84-6', 'https://commonchemistry.cas.org/detail?cas_rn=5333-84-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Cyclohexene-1,2-dicarboxylic anhydride, 3-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5333-84-6', 'https://commonchemistry.cas.org/detail?cas_rn=5333-84-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Aradur 917-1', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5333-84-6', 'https://commonchemistry.cas.org/detail?cas_rn=5333-84-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dicure 319', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5333-84-6', 'https://commonchemistry.cas.org/detail?cas_rn=5333-84-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ECH 202', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5333-84-6', 'https://commonchemistry.cas.org/detail?cas_rn=5333-84-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'I-MTHFA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5333-84-6', 'https://commonchemistry.cas.org/detail?cas_rn=5333-84-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 2352', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5333-84-6', 'https://commonchemistry.cas.org/detail?cas_rn=5333-84-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=4-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione||dimension=Environmental > media=Ground > geography=Agricultural; cas=5333-84-6; added Common Chemistry CAS names as altLabel: 1,2,3,6-Tetrahydro-3-methylphthalic anhydride, 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-, 3-Methyl-1,2,3,6-tetrahydrophthalic anhydride, 3-Methyl-4-cyclohexene-1,2-dicarboxylic acid anhydride, 3-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride, 3-Methyl-Δ<sup>4</sup>-tetrahydrophthalic anhydride, 3-Methyltetrahydrophthalic anhydride, 3a,4,7,7a-Tetrahydro-4-methyl-1,3-isobenzofurandione, 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-methyl-, Aradur 917-1, Dicure 319, ECH 202, I-MTHFA, NSC 2352; object_uuid=fo-9db326cb39191697
cas_match_labels None {'5333-84-6': 'exactMatch'} group_key=4-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5333-84-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9db326cb39191697: {'5333-84-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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