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Sodium 1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate

UUID 36be75f6-5def-4cb8-85fa-478d55206d2c
Flow Object IDfo-f6dfe82ab0730f59
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 127-39-9
EC Numbers 204-839-5
prefLabel
Language Value Provenance
en Sodium 1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate
altLabel ⓘ
Language Value Provenance
en Aerosol IB
en Aerosol IB 45
en Alphasol IB
en Butanedioic acid, 2-sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt (1:1)
en Butanedioic acid, sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt
en Di-2-methylpropyl sulfosuccinate sodium salt
en Diisobutyl 2-sulfobutane-1,4-dioate sodium salt
en Diisobutyl sodiosulfosuccinate
en Diisobutyl sodium sulfosuccinate
en Diisobutyl sulfosuccinate sodium salt
en IB 45
en Isobutyl sulfosuccinic acid monosodium salt diester
en Manoxol IB
en Monawet MB 100
en Monawet MB 45
en Monawet MB 70
en Sodium 1,4-diisobutyl sulfosuccinate
en Sodium diisobutyl sulfosuccinate
en Succinic acid, sulfo-, 1,4-diisobutyl ester, sodium salt
en Succinic acid, sulfo-, diisobutyl ester, <em>S</em>-sodium salt
en Sulfosuccinic acid diisobutyl ester sodium salt
References
Shared Properties
Predicate Value
InChIKey FXZAUBIBKADOBA-UHFFFAOYSA-N, NTWXWSVUSTYPJH-UHFFFAOYSA-M, NTWXWSVUSTYPJH-UHFFFAOYSA-N
InChI InChI=1S/C12H22O7S.Na/c1-8(2)6-18-11(13)5-10(20(15,16)17)12(14)19-7-9(3)4;/h8-10H,5-7H2,1-4H3,(H,15,16,17);, InChI=1S/C12H22O7S.Na/c1-8(2)6-18-11(13)5-10(20(15,16)17)12(14)19-7-9(3)4;/h8-10H,5-7H2,1-4H3,(H,15,16,17);/q;+1, InChI=1S/C12H22O7S.Na/c1-8(2)6-18-11(13)5-10(20(15,16)17)12(14)19-7-9(3)4;/h8-10H,5-7H2,1-4H3,(H,15,16,17);/q;+1/p-1
IUPAC name sodium 1,4-bis(2-methylpropoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate, sodium 1,4-bis(2-methylpropoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid, sodium 1,4-bis(2-methylpropoxy)-1,4-dioxo-2-butanesulfonate, sodium 1,4-bis(2-methylpropoxy)-1,4-dioxo-2-butanesulfonic acid, sodium 1,4-bis(2-methylpropoxy)-1,4-dioxobutane-2-sulfonate, sodium 1,4-bis(2-methylpropoxy)-1,4-dioxobutane-2-sulfonic acid, sodium 1,4-diisobutoxy-1,4-diketo-butane-2-sulfonate, sodium 1,4-diisobutoxy-1,4-diketo-butane-2-sulfonic acid, sodium 1,4-diisobutoxy-1,4-dioxo-butane-2-sulfonate, sodium 1,4-diisobutoxy-1,4-dioxo-butane-2-sulfonic acid
Molecular formula C12H21NaO7S, C12H22NaO7S, C12H22NaO7S+
SMILES CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)O.[Na+], CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)O.[Na], CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)[O-].[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 36be75f6-5def-4cb8-85fa-478d55206d2c sodium 1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 sodium 1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate Emissions/Emissions to soil/Emissions to non-agricultural soil 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=sodium1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Air > strata=Unknown; cas=127-39-9; added Common Chemistry CAS names as altLabel: Aerosol IB, Aerosol IB 45, Alphasol IB, Butanedioic acid, 2-sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt (1:1), Butanedioic acid, sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt, Di-2-methylpropyl sulfosuccinate sodium salt, Diisobutyl 2-sulfobutane-1,4-dioate sodium salt, Diisobutyl sodiosulfosuccinate, Diisobutyl sodium sulfosuccinate, Diisobutyl sulfosuccinate sodium salt, IB 45, Isobutyl sulfosuccinic acid monosodium salt diester, Manoxol IB, Monawet MB 100, Monawet MB 45, Monawet MB 70, Sodium 1,4-diisobutyl sulfosuccinate, Sodium diisobutyl sulfosuccinate, Succinic acid, sulfo-, 1,4-diisobutyl ester, sodium salt, Succinic acid, sulfo-, diisobutyl ester, <em>S</em>-sodium salt, Sulfosuccinic acid diisobutyl ester sodium salt; object_uuid=fo-f6dfe82ab0730f59
cas_match_labels 1 — consensus_match group_key=sodium1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'127-39-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f6dfe82ab0730f59: {'127-39-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Aerosol IB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Aerosol IB 45', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Alphasol IB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanedioic acid, 2-sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanedioic acid, sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Di-2-methylpropyl sulfosuccinate sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diisobutyl 2-sulfobutane-1,4-dioate sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diisobutyl sodiosulfosuccinate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diisobutyl sodium sulfosuccinate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diisobutyl sulfosuccinate sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'IB 45', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isobutyl sulfosuccinic acid monosodium salt diester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Manoxol IB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Monawet MB 100', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Monawet MB 45', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Monawet MB 70', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium 1,4-diisobutyl sulfosuccinate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium diisobutyl sulfosuccinate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Succinic acid, sulfo-, 1,4-diisobutyl ester, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Succinic acid, sulfo-, diisobutyl ester, <em>S</em>-sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sulfosuccinic acid diisobutyl ester sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-39-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-39-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=sodium1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Air > strata=Unknown; cas=127-39-9; added Common Chemistry CAS names as altLabel: Aerosol IB, Aerosol IB 45, Alphasol IB, Butanedioic acid, 2-sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt (1:1), Butanedioic acid, sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt, Di-2-methylpropyl sulfosuccinate sodium salt, Diisobutyl 2-sulfobutane-1,4-dioate sodium salt, Diisobutyl sodiosulfosuccinate, Diisobutyl sodium sulfosuccinate, Diisobutyl sulfosuccinate sodium salt, IB 45, Isobutyl sulfosuccinic acid monosodium salt diester, Manoxol IB, Monawet MB 100, Monawet MB 45, Monawet MB 70, Sodium 1,4-diisobutyl sulfosuccinate, Sodium diisobutyl sulfosuccinate, Succinic acid, sulfo-, 1,4-diisobutyl ester, sodium salt, Succinic acid, sulfo-, diisobutyl ester, <em>S</em>-sodium salt, Sulfosuccinic acid diisobutyl ester sodium salt; object_uuid=fo-f6dfe82ab0730f59
cas_match_labels None {'127-39-9': 'exactMatch'} group_key=sodium1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'127-39-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f6dfe82ab0730f59: {'127-39-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
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  "name": null,
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  "general_comment": null,
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  "unit": "kg",
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      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 3.2404e-9
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        "sodium 1,4-bis(2-methylpropoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid",
        "sodium 1,4-bis(2-methylpropoxy)-1,4-dioxo-2-butanesulfonate",
        "sodium 1,4-bis(2-methylpropoxy)-1,4-dioxo-2-butanesulfonic acid",
        "sodium 1,4-bis(2-methylpropoxy)-1,4-dioxobutane-2-sulfonate",
        "sodium 1,4-bis(2-methylpropoxy)-1,4-dioxobutane-2-sulfonic acid",
        "sodium 1,4-diisobutoxy-1,4-diketo-butane-2-sulfonate",
        "sodium 1,4-diisobutoxy-1,4-diketo-butane-2-sulfonic acid",
        "sodium 1,4-diisobutoxy-1,4-dioxo-butane-2-sulfonate",
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