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Tetrahydromethylphthalic Anhydride

UUID fe08df98-e8a2-4863-9200-b743edc6562b
Deprecated yes
Replaced By 699438fb-fef7-4159-9190-628710af6cb4
Flow Object IDfo-1965e4ed5bd6760e
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 11070-44-3
EC Numbers 234-290-7
prefLabel
Language Value Provenance
en Tetrahydromethylphthalic Anhydride
altLabel ⓘ
Language Value Provenance
en 1,3-Isobenzofurandione, tetrahydromethyl-
en Cyclohexene-1,2-dicarboxylic anhydride, methyl-
en Isomethyltetrahydrophthalic anhydride
en Tetrahydromethyl-1,3-isobenzofurandione
References
Shared Properties
Predicate Value
InChIKey CSHJJWDAZSZQBT-UHFFFAOYSA-N, KMWYVIIDMHHXQP-UHFFFAOYSA-N, LOYDTBZMMPQJNI-UHFFFAOYSA-N, LTCIAYCHYFURKB-UHFFFAOYSA-N, NKSHSSKEXJLVHV-UHFFFAOYSA-N, SOOZEQGBHHIHEF-UHFFFAOYSA-N, TWWAWPHAOPTQEU-UHFFFAOYSA-N, XPEKVUUBSDFMDR-UHFFFAOYSA-N, YWMGEKOEVHPVRB-UHFFFAOYSA-N
InChI InChI=1S/2C9H10O3/c2*1-5-3-2-4-6-7(5)9(11)12-8(6)10/h5H,2-4H2,1H3;4-5,7H,2-3H2,1H3, 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/h4-5,7H,2-3H2,1H3, InChI=1S/C9H10O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h6H,2-4H2,1H3, InChI=1S/C9H10O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h2-3,6H,4-5H2,1H3, InChI=1S/C9H10O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h3,5-6H,2,4H2,1H3, InChI=1S/C9H10O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h4H,2-3,5H2,1H3, InChI=1S/C9H11NO2/c1-6-4-7(5-9(11)12)2-3-8(6)10/h2-4H,5,10H2,1H3,(H,11,12), InChI=1S/C9H6O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-4H,1H3
IUPAC name 2-(4-amino-3-methyl-phenyl)acetic acid, 2-(4-amino-3-methylphenyl)acetic acid, 2-(4-azanyl-3-methyl-phenyl)ethanoic acid, 3a-methyl-5,6-dihydro-4H-2-benzofuran-1,3-dione, 3a-methyl-5,6-dihydro-4H-isobenzofuran-1,3-dione, 3a-methyl-5,6-dihydro-4H-isobenzofuran-1,3-quinone, 4-methyl-2-benzofuran-1,3-dione, 4-methyl-3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione, 4-methyl-3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione;4-methyl-4,5,6,7-tetrahydro-2-benzofuran-1,3-dione, 4-methyl-3a,4,5,6-tetrahydroisobenzofuran-1,3-dione, 4-methyl-3a,4,5,6-tetrahydroisobenzofuran-1,3-dione;4-methyl-4,5,6,7-tetrahydroisobenzofuran-1,3-dione, 4-methyl-3a,4,5,6-tetrahydroisobenzofuran-1,3-quinone, 4-methyl-3a,4,5,6-tetrahydroisobenzofuran-1,3-quinone;4-methyl-4,5,6,7-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, 4-methylisobenzofuran-1,3-dione, 4-methylphthalan-1,3-quinone, 7-methyl-3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione, 7-methyl-3a,4,5,6-tetrahydroisobenzofuran-1,3-dione, 7-methyl-3a,4,5,6-tetrahydroisobenzofuran-1,3-quinone, 7a-methyl-4,5-dihydro-3aH-2-benzofuran-1,3-dione, 7a-methyl-4,5-dihydro-3aH-isobenzofuran-1,3-dione, 7a-methyl-4,5-dihydro-3aH-isobenzofuran-1,3-quinone, 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione, 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione, 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-quinone
Molecular formula C18H20O6, C9H10O3, C9H11NO2, C9H6O3
SMILES CC12C=CCCC1C(=O)OC2=O, CC12CC=CCC1C(=O)OC2=O, CC12CCCC=C1C(=O)OC2=O, CC1=C(C=CC(=C1)CC(=O)O)N, CC1=C2C(=CC=C1)C(=O)OC2=O, CC1=C2C(CCC1)C(=O)OC2=O, CC1C=CCC2C1C(=O)OC2=O, CC1CCC=C2C1C(=O)OC2=O, CC1CCC=C2C1C(=O)OC2=O.CC1CCCC2=C1C(=O)OC2=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fe08df98-e8a2-4863-9200-b743edc6562b tetrahydromethylphthalic anhydride

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=tetrahydromethylphthalicanhydride||dimension=Environmental > media=Water > water_body=Surface water; cas=11070-44-3; added Common Chemistry CAS names as altLabel: 1,3-Isobenzofurandione, tetrahydromethyl-, Cyclohexene-1,2-dicarboxylic anhydride, methyl-, Isomethyltetrahydrophthalic anhydride, Tetrahydromethyl-1,3-isobenzofurandione; object_uuid=fo-1965e4ed5bd6760e
cas_match_labels 1 — consensus_match group_key=tetrahydromethylphthalicanhydride||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'11070-44-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1965e4ed5bd6760e: {'11070-44-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,3-Isobenzofurandione, tetrahydromethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:11070-44-3', 'https://commonchemistry.cas.org/detail?cas_rn=11070-44-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexene-1,2-dicarboxylic anhydride, methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:11070-44-3', 'https://commonchemistry.cas.org/detail?cas_rn=11070-44-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isomethyltetrahydrophthalic anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:11070-44-3', 'https://commonchemistry.cas.org/detail?cas_rn=11070-44-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tetrahydromethyl-1,3-isobenzofurandione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:11070-44-3', 'https://commonchemistry.cas.org/detail?cas_rn=11070-44-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=tetrahydromethylphthalicanhydride||dimension=Environmental > media=Water > water_body=Surface water; cas=11070-44-3; added Common Chemistry CAS names as altLabel: 1,3-Isobenzofurandione, tetrahydromethyl-, Cyclohexene-1,2-dicarboxylic anhydride, methyl-, Isomethyltetrahydrophthalic anhydride, Tetrahydromethyl-1,3-isobenzofurandione; object_uuid=fo-1965e4ed5bd6760e
cas_match_labels None {'11070-44-3': 'exactMatch'} group_key=tetrahydromethylphthalicanhydride||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'11070-44-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1965e4ed5bd6760e: {'11070-44-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "3a-methyl-5,6-dihydro-4H-2-benzofuran-1,3-dione",
        "3a-methyl-5,6-dihydro-4H-isobenzofuran-1,3-dione",
        "3a-methyl-5,6-dihydro-4H-isobenzofuran-1,3-quinone",
        "4-methyl-2-benzofuran-1,3-dione",
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        "4-methyl-3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione;4-methyl-4,5,6,7-tetrahydro-2-benzofuran-1,3-dione",
        "4-methyl-3a,4,5,6-tetrahydroisobenzofuran-1,3-dione",
        "4-methyl-3a,4,5,6-tetrahydroisobenzofuran-1,3-dione;4-methyl-4,5,6,7-tetrahydroisobenzofuran-1,3-dione",
        "4-methyl-3a,4,5,6-tetrahydroisobenzofuran-1,3-quinone",
        "4-methyl-3a,4,5,6-tetrahydroisobenzofuran-1,3-quinone;4-methyl-4,5,6,7-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",
        "4-methylisobenzofuran-1,3-dione",
        "4-methylphthalan-1,3-quinone",
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        "7-methyl-3a,4,5,6-tetrahydroisobenzofuran-1,3-dione",
        "7-methyl-3a,4,5,6-tetrahydroisobenzofuran-1,3-quinone",
        "7a-methyl-4,5-dihydro-3aH-2-benzofuran-1,3-dione",
        "7a-methyl-4,5-dihydro-3aH-isobenzofuran-1,3-dione",
        "7a-methyl-4,5-dihydro-3aH-isobenzofuran-1,3-quinone",
        "7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione",
        "7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione",
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