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Diisobutyl Phthalate

UUID 34f62544-7943-4d91-99d8-8f3ad76fb197
Deprecated yes
Replaced By 01d9a441-15cd-46af-be15-342fa946ebe0
Flow Object IDfo-25c318ae7fa38322
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 84-69-5
EC Numbers 201-553-2
prefLabel
Language Value Provenance
en Diisobutyl Phthalate
altLabel ⓘ
Language Value Provenance
en 1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester
en 1,2-benzenedicarboxylic acid di(2-methylpropyl) ester
en 1,2-benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester
en DIBP
en bis(2-methylpropyl) phthalate
en di(i-butyl)phthalate
en di-2-methylpropyl phthalate
en di-iso-butyl phthalate
en isobutyl phthalate
en isobutyl-o-phthalate
en phthalic acid, diisobutyl ester
en 1,2-Benzenedicarboxylic acid diisobutyl ester
en 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester
en 2-Methylpropyl phthalate
en Bis(2-methylpropyl) <em>o</em>-phthalate
en Di(2-methylpropyl) phthalate
en Di(isobutyl) 1,2-benzenedicarboxylate
en Di-<em>iso</em>-Butyl phthalate
en Hexaplas M/1B
en NSC 15316
en Palatinol IC
en Reomol DiBP
Definitions
Language Value Provenance
en A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of isobutanol.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey MGWAVDBGNNKXQV-UHFFFAOYSA-N
InChI InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
IUPAC name benzene-1,2-dicarboxylic acid bis(2-methylpropyl) ester, benzene-1,2-dicarboxylic acid diisobutyl ester, bis(2-methylpropyl) benzene-1,2-dicarboxylate, diisobutyl benzene-1,2-dicarboxylate
Molecular formula C16H22O4
Molecular mass 278.348
Monoisotopic mass 278.15181
SMILES CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C, CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 34f62544-7943-4d91-99d8-8f3ad76fb197 diisobutyl phthalate

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=diisobutylphthalate||dimension=Environmental > media=Water > water_body=Unknown; cas=84-69-5; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid diisobutyl ester, 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester, 2-Methylpropyl phthalate, Bis(2-methylpropyl) <em>o</em>-phthalate, Di(2-methylpropyl) phthalate, Di(isobutyl) 1,2-benzenedicarboxylate, Di-<em>iso</em>-Butyl phthalate, Hexaplas M/1B, NSC 15316, Palatinol IC, Reomol DiBP; object_uuid=fo-25c318ae7fa38322
cas_match_labels 1 — consensus_match group_key=diisobutylphthalate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'84-69-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-25c318ae7fa38322: {'84-69-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2-benzenedicarboxylic acid di(2-methylpropyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2-benzenedicarboxylic acid di(2-methylpropyl) ester', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2-benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2-benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'DIBP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DIBP', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'bis(2-methylpropyl) phthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:bis(2-methylpropyl) phthalate', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'di(i-butyl)phthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:di(i-butyl)phthalate', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'di-2-methylpropyl phthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:di-2-methylpropyl phthalate', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'di-iso-butyl phthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:di-iso-butyl phthalate', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isobutyl phthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isobutyl phthalate', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isobutyl-o-phthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isobutyl-o-phthalate', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'phthalic acid, diisobutyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:phthalic acid, diisobutyl ester', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2-benzenedicarboxylic acid di(2-methylpropyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2-benzenedicarboxylic acid di(2-methylpropyl) ester', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2-benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2-benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'DIBP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DIBP', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'bis(2-methylpropyl) phthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:bis(2-methylpropyl) phthalate', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'di(i-butyl)phthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:di(i-butyl)phthalate', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'di-2-methylpropyl phthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:di-2-methylpropyl phthalate', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'di-iso-butyl phthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:di-iso-butyl phthalate', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isobutyl phthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isobutyl phthalate', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isobutyl-o-phthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isobutyl-o-phthalate', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'phthalic acid, diisobutyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:phthalic acid, diisobutyl ester', 'http://purl.obolibrary.org/obo/CHEBI_79053', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2-Benzenedicarboxylic acid diisobutyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:84-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=84-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:84-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=84-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Methylpropyl phthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:84-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=84-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bis(2-methylpropyl) <em>o</em>-phthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:84-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=84-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Di(2-methylpropyl) phthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:84-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=84-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Di(isobutyl) 1,2-benzenedicarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:84-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=84-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Di-<em>iso</em>-Butyl phthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:84-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=84-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexaplas M/1B', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:84-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=84-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 15316', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:84-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=84-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Palatinol IC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:84-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=84-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Reomol DiBP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:84-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=84-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=diisobutylphthalate||dimension=Environmental > media=Water > water_body=Unknown; cas=84-69-5; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid diisobutyl ester, 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester, 2-Methylpropyl phthalate, Bis(2-methylpropyl) <em>o</em>-phthalate, Di(2-methylpropyl) phthalate, Di(isobutyl) 1,2-benzenedicarboxylate, Di-<em>iso</em>-Butyl phthalate, Hexaplas M/1B, NSC 15316, Palatinol IC, Reomol DiBP; object_uuid=fo-25c318ae7fa38322
cas_match_labels None {'84-69-5': 'exactMatch'} group_key=diisobutylphthalate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'84-69-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-25c318ae7fa38322: {'84-69-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
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