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Sodium Dioctyl Sulfosuccinate

UUID ac347402-ece0-44ca-a227-37715782b501
Deprecated yes
Replaced By 0aa664b3-4710-44d8-bee0-8849e695e5fb
Flow Object IDfo-044770bf4d4d7368
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 1639-66-3
EC Numbers 216-684-0
prefLabel
Language Value Provenance
en Sodium Dioctyl Sulfosuccinate
altLabel
Language Value Provenance
en Butanedioic acid, 2-sulfo-, 1,4-dioctyl ester, sodium salt (1:1)
en Butanedioic acid, sulfo-, 1,4-dioctyl ester, sodium salt
en Dioctyl sodiosulfosuccinate
en Dioctylsulfosuccinic acid sodium salt
en MKC
en NSC 7779
en Neocol SW 30
en Octyl alcohol, sulfosuccinate (1:2) sodium salt
en Penetrant T
en Penetrating T
en Sodium 1,2-bis(octyloxycarbonyl)-1-ethanesulfonate
en Sodium di-<em>n</em>-octyl sulfosuccinate
en Succinic acid, sulfo-, 1,4-dioctyl ester, sodium salt
en Succinic acid, sulfo-, dioctyl ester, <em>S</em>-sodium salt
en Succinic acid, sulfo-, dioctyl ester, Na salt
en Surfacpol 203
en Texapon DOS
References
Shared Properties
Predicate Value
InChIKey CUOSYYRDANYHTL-UHFFFAOYSA-N, OXLXSOPFNVKUMU-UHFFFAOYSA-N, RCIJACVHOIKRAP-FERBBOLQSA-M, RCIJACVHOIKRAP-UHFFFAOYSA-M, RCIJACVHOIKRAP-UHFFFAOYSA-N
InChI InChI=1S/C20H38O7S.Na/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2;/h18H,3-17H2,1-2H3,(H,23,24,25);, InChI=1S/C20H38O7S.Na/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2;/h18H,3-17H2,1-2H3,(H,23,24,25);/q;+1, InChI=1S/C20H38O7S.Na/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2;/h18H,3-17H2,1-2H3,(H,23,24,25);/q;+1/p-1, InChI=1S/C20H38O7S.Na/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2;/h18H,3-17H2,1-2H3,(H,23,24,25);/q;+1/p-1/t18-;/m0./s1, InChI=1S/C20H38O7S/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2/h18H,3-17H2,1-2H3,(H,23,24,25)
IUPAC name 1,4-diketo-1,4-dioctoxy-butane-2-sulfonic acid, 1,4-dioctoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid, 1,4-dioctoxy-1,4-dioxo-2-butanesulfonic acid, 1,4-dioctoxy-1,4-dioxo-butane-2-sulfonic acid, 1,4-dioctoxy-1,4-dioxobutane-2-sulfonic acid, sodium (2S)-1,4-diketo-1,4-dioctoxy-butane-2-sulfonate, sodium (2S)-1,4-dioctoxy-1,4-bis(oxidanylidene)butane-2-sulfonate, sodium (2S)-1,4-dioctoxy-1,4-dioxo-2-butanesulfonate, sodium (2S)-1,4-dioctoxy-1,4-dioxo-butane-2-sulfonate, sodium (2S)-1,4-dioctoxy-1,4-dioxobutane-2-sulfonate, sodium 1,4-diketo-1,4-dioctoxy-butane-2-sulfonate, sodium 1,4-diketo-1,4-dioctoxy-butane-2-sulfonic acid, sodium 1,4-dioctoxy-1,4-bis(oxidanylidene)butane-2-sulfonate, sodium 1,4-dioctoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid, sodium 1,4-dioctoxy-1,4-dioxo-2-butanesulfonate, sodium 1,4-dioctoxy-1,4-dioxo-2-butanesulfonic acid, sodium 1,4-dioctoxy-1,4-dioxo-butane-2-sulfonate, sodium 1,4-dioctoxy-1,4-dioxo-butane-2-sulfonic acid, sodium 1,4-dioctoxy-1,4-dioxobutane-2-sulfonate, sodium 1,4-dioctoxy-1,4-dioxobutane-2-sulfonic acid
Molecular formula C20H37NaO7S, C20H38NaO7S, C20H38NaO7S+, C20H38O7S
SMILES CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)O, CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)O.[Na+], CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)O.[Na], CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)[O-].[Na+], CCCCCCCCOC(=O)C[C@@H](C(=O)OCCCCCCCC)S(=O)(=O)[O-].[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 ac347402-ece0-44ca-a227-37715782b501 sodium dioctyl sulfosuccinate

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=sodiumdioctylsulfosuccinate||dimension=Environmental > media=Water > water_body=Unknown; cas=1639-66-3; added Common Chemistry CAS names as altLabel: Butanedioic acid, 2-sulfo-, 1,4-dioctyl ester, sodium salt (1:1), Butanedioic acid, sulfo-, 1,4-dioctyl ester, sodium salt, Dioctyl sodiosulfosuccinate, Dioctylsulfosuccinic acid sodium salt, MKC, NSC 7779, Neocol SW 30, Octyl alcohol, sulfosuccinate (1:2) sodium salt, Penetrant T, Penetrating T, Sodium 1,2-bis(octyloxycarbonyl)-1-ethanesulfonate, Sodium di-<em>n</em>-octyl sulfosuccinate, Succinic acid, sulfo-, 1,4-dioctyl ester, sodium salt, Succinic acid, sulfo-, dioctyl ester, <em>S</em>-sodium salt, Succinic acid, sulfo-, dioctyl ester, Na salt, Surfacpol 203, Texapon DOS; object_uuid=fo-044770bf4d4d7368
cas_match_labels 1 consensus_match group_key=sodiumdioctylsulfosuccinate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1639-66-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-044770bf4d4d7368: {'1639-66-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Butanedioic acid, 2-sulfo-, 1,4-dioctyl ester, sodium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1639-66-3', 'https://commonchemistry.cas.org/detail?cas_rn=1639-66-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanedioic acid, sulfo-, 1,4-dioctyl ester, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1639-66-3', 'https://commonchemistry.cas.org/detail?cas_rn=1639-66-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dioctyl sodiosulfosuccinate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1639-66-3', 'https://commonchemistry.cas.org/detail?cas_rn=1639-66-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dioctylsulfosuccinic acid sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1639-66-3', 'https://commonchemistry.cas.org/detail?cas_rn=1639-66-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MKC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1639-66-3', 'https://commonchemistry.cas.org/detail?cas_rn=1639-66-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 7779', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1639-66-3', 'https://commonchemistry.cas.org/detail?cas_rn=1639-66-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Neocol SW 30', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1639-66-3', 'https://commonchemistry.cas.org/detail?cas_rn=1639-66-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Octyl alcohol, sulfosuccinate (1:2) sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1639-66-3', 'https://commonchemistry.cas.org/detail?cas_rn=1639-66-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Penetrant T', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1639-66-3', 'https://commonchemistry.cas.org/detail?cas_rn=1639-66-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Penetrating T', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1639-66-3', 'https://commonchemistry.cas.org/detail?cas_rn=1639-66-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium 1,2-bis(octyloxycarbonyl)-1-ethanesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1639-66-3', 'https://commonchemistry.cas.org/detail?cas_rn=1639-66-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium di-<em>n</em>-octyl sulfosuccinate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1639-66-3', 'https://commonchemistry.cas.org/detail?cas_rn=1639-66-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Succinic acid, sulfo-, 1,4-dioctyl ester, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1639-66-3', 'https://commonchemistry.cas.org/detail?cas_rn=1639-66-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Succinic acid, sulfo-, dioctyl ester, <em>S</em>-sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1639-66-3', 'https://commonchemistry.cas.org/detail?cas_rn=1639-66-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Succinic acid, sulfo-, dioctyl ester, Na salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1639-66-3', 'https://commonchemistry.cas.org/detail?cas_rn=1639-66-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Surfacpol 203', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1639-66-3', 'https://commonchemistry.cas.org/detail?cas_rn=1639-66-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Texapon DOS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1639-66-3', 'https://commonchemistry.cas.org/detail?cas_rn=1639-66-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=sodiumdioctylsulfosuccinate||dimension=Environmental > media=Water > water_body=Unknown; cas=1639-66-3; added Common Chemistry CAS names as altLabel: Butanedioic acid, 2-sulfo-, 1,4-dioctyl ester, sodium salt (1:1), Butanedioic acid, sulfo-, 1,4-dioctyl ester, sodium salt, Dioctyl sodiosulfosuccinate, Dioctylsulfosuccinic acid sodium salt, MKC, NSC 7779, Neocol SW 30, Octyl alcohol, sulfosuccinate (1:2) sodium salt, Penetrant T, Penetrating T, Sodium 1,2-bis(octyloxycarbonyl)-1-ethanesulfonate, Sodium di-<em>n</em>-octyl sulfosuccinate, Succinic acid, sulfo-, 1,4-dioctyl ester, sodium salt, Succinic acid, sulfo-, dioctyl ester, <em>S</em>-sodium salt, Succinic acid, sulfo-, dioctyl ester, Na salt, Surfacpol 203, Texapon DOS; object_uuid=fo-044770bf4d4d7368
cas_match_labels None {'1639-66-3': 'exactMatch'} group_key=sodiumdioctylsulfosuccinate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1639-66-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-044770bf4d4d7368: {'1639-66-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "water_body": "Unknown"
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  "general_comment": "Correct mapping CAS and flow to be verified: yet unclear whether this is the sodium-, hydrochloride-, calcium-, potassium- or other salt or the pure substance that is emitted. Note that the CAS No is the relevant identifier, to which also the ILCD LCIA characterisation factors relate. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
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        "CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)O.[Na+]",
        "CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)O.[Na]",
        "CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)[O-].[Na+]",
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        "1,4-diketo-1,4-dioctoxy-butane-2-sulfonic acid",
        "1,4-dioctoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid",
        "1,4-dioctoxy-1,4-dioxo-2-butanesulfonic acid",
        "1,4-dioctoxy-1,4-dioxo-butane-2-sulfonic acid",
        "1,4-dioctoxy-1,4-dioxobutane-2-sulfonic acid",
        "sodium (2S)-1,4-diketo-1,4-dioctoxy-butane-2-sulfonate",
        "sodium (2S)-1,4-dioctoxy-1,4-bis(oxidanylidene)butane-2-sulfonate",
        "sodium (2S)-1,4-dioctoxy-1,4-dioxo-2-butanesulfonate",
        "sodium (2S)-1,4-dioctoxy-1,4-dioxo-butane-2-sulfonate",
        "sodium (2S)-1,4-dioctoxy-1,4-dioxobutane-2-sulfonate",
        "sodium 1,4-diketo-1,4-dioctoxy-butane-2-sulfonate",
        "sodium 1,4-diketo-1,4-dioctoxy-butane-2-sulfonic acid",
        "sodium 1,4-dioctoxy-1,4-bis(oxidanylidene)butane-2-sulfonate",
        "sodium 1,4-dioctoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid",
        "sodium 1,4-dioctoxy-1,4-dioxo-2-butanesulfonate",
        "sodium 1,4-dioctoxy-1,4-dioxo-2-butanesulfonic acid",
        "sodium 1,4-dioctoxy-1,4-dioxo-butane-2-sulfonate",
        "sodium 1,4-dioctoxy-1,4-dioxo-butane-2-sulfonic acid",
        "sodium 1,4-dioctoxy-1,4-dioxobutane-2-sulfonate",
        "sodium 1,4-dioctoxy-1,4-dioxobutane-2-sulfonic acid"
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