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Calcium bis(4-(icosan-3-yl)benzene-1-sulfonate)

Flow Object IDfo-d616a500f4cd6534
TypeConsensus
prefLabel
Label Language
Calcium bis(4-(icosan-3-yl)benzene-1-sulfonate) en
Alt Labels
Label Language Provenance
Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts en
Petroleum, Mono-c16-24 Linear Saturated Alkaryl Derivatised Benzenesulphonic Acid Calcium Salts en
CAS Numbers70024-69-0
EC Numbers274-263-7
Changes Applied26

Properties

Predicate Value
InChIKey SSPTURYBIYWNGR-UHFFFAOYSA-L
InChI InChI=1S/2C26H46O3S.Ca/c2*1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(4-2)25-20-22-26(23-21-25)30(27,28)29;/h2*20-24H,3-19H2,1-2H3,(H,27,28,29);/q;;+2/p-2
IUPAC name calcium bis(4-(1-ethyloctadecyl)benzenesulfonate), calcium bis(4-(1-ethyloctadecyl)besylate), calcium bis(4-eicosan-3-ylbenzenesulfonate), calcium bis(4-icosan-3-ylbenzenesulfonate)
Molecular formula C52H90CaO6S2
SMILES CCCCCCCCCCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2]

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
83fddacd… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
831267a0… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
8a13fc26… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
1c25fa61… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
218ceb72… EF 3.1 kg Environmental → Air → Unknown 4 2
b7be64b3… EF 3.1 kg Environmental → Air → Unknown 4 2
27417d67… EF 3.1 kg Environmental → Ground → Agricultural 4 2
1fa1d837… EF 3.1 kg Environmental → Ground → Unknown 4 2
dc19fdac… EF 3.1 kg Environmental → Water → Ocean 4 2
53ebef87… EF 3.1 kg Environmental → Water → Surface water 4 2
5faf4950… EF 3.1 kg Environmental → Water → Unknown 4 2

Changes Applied

Elementary Flow Field Old Value New Value Comment
1c25fa61… altLabel [{"@value":"Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:70024-69-0","https://commonchemistry.cas.org/detail?cas_rn=70024-69-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=70024-69-0; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts; object_uuid=fo-d616a500f4cd6534
1c25fa61… cas_match_labels {"70024-69-0":"exactMatch"} group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'70024-69-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d616a500f4cd6534: {'70024-69-0': 'exactMatch'}
1fa1d837… altLabel [{"@value":"Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:70024-69-0","https://commonchemistry.cas.org/detail?cas_rn=70024-69-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=70024-69-0; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts; object_uuid=fo-d616a500f4cd6534
1fa1d837… cas_match_labels {"70024-69-0":"exactMatch"} group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'70024-69-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d616a500f4cd6534: {'70024-69-0': 'exactMatch'}
218ceb72… altLabel [{"@value":"Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:70024-69-0","https://commonchemistry.cas.org/detail?cas_rn=70024-69-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=70024-69-0; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts; object_uuid=fo-d616a500f4cd6534
218ceb72… cas_match_labels {"70024-69-0":"exactMatch"} group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'70024-69-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d616a500f4cd6534: {'70024-69-0': 'exactMatch'}
27417d67… altLabel [{"@value":"Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:70024-69-0","https://commonchemistry.cas.org/detail?cas_rn=70024-69-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=70024-69-0; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts; object_uuid=fo-d616a500f4cd6534
27417d67… cas_match_labels {"70024-69-0":"exactMatch"} group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'70024-69-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d616a500f4cd6534: {'70024-69-0': 'exactMatch'}
53ebef87… altLabel [{"@value":"Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:70024-69-0","https://commonchemistry.cas.org/detail?cas_rn=70024-69-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=70024-69-0; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts; object_uuid=fo-d616a500f4cd6534
53ebef87… cas_match_labels {"70024-69-0":"exactMatch"} group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'70024-69-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d616a500f4cd6534: {'70024-69-0': 'exactMatch'}
5faf4950… altLabel [{"@value":"Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:70024-69-0","https://commonchemistry.cas.org/detail?cas_rn=70024-69-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=70024-69-0; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts; object_uuid=fo-d616a500f4cd6534
5faf4950… cas_match_labels {"70024-69-0":"exactMatch"} group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'70024-69-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d616a500f4cd6534: {'70024-69-0': 'exactMatch'}
6b4a8638… altLabel [{"@value":"Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:70024-69-0","https://commonchemistry.cas.org/detail?cas_rn=70024-69-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=70024-69-0; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts; object_uuid=fo-d616a500f4cd6534
6b4a8638… cas_match_labels {"70024-69-0":"exactMatch"} group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'70024-69-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d616a500f4cd6534: {'70024-69-0': 'exactMatch'}
831267a0… altLabel [{"@value":"Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:70024-69-0","https://commonchemistry.cas.org/detail?cas_rn=70024-69-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=70024-69-0; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts; object_uuid=fo-d616a500f4cd6534
831267a0… cas_match_labels {"70024-69-0":"exactMatch"} group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'70024-69-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d616a500f4cd6534: {'70024-69-0': 'exactMatch'}
83fddacd… altLabel [{"@value":"Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:70024-69-0","https://commonchemistry.cas.org/detail?cas_rn=70024-69-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=70024-69-0; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts; object_uuid=fo-d616a500f4cd6534
83fddacd… cas_match_labels {"70024-69-0":"exactMatch"} group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'70024-69-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d616a500f4cd6534: {'70024-69-0': 'exactMatch'}
8a13fc26… altLabel [{"@value":"Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:70024-69-0","https://commonchemistry.cas.org/detail?cas_rn=70024-69-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=70024-69-0; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts; object_uuid=fo-d616a500f4cd6534
8a13fc26… cas_match_labels {"70024-69-0":"exactMatch"} group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'70024-69-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d616a500f4cd6534: {'70024-69-0': 'exactMatch'}
aedbe9e8… altLabel [{"@value":"Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:70024-69-0","https://commonchemistry.cas.org/detail?cas_rn=70024-69-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=70024-69-0; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts; object_uuid=fo-d616a500f4cd6534
aedbe9e8… cas_match_labels {"70024-69-0":"exactMatch"} group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'70024-69-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d616a500f4cd6534: {'70024-69-0': 'exactMatch'}
b7be64b3… altLabel [{"@value":"Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:70024-69-0","https://commonchemistry.cas.org/detail?cas_rn=70024-69-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=70024-69-0; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts; object_uuid=fo-d616a500f4cd6534
b7be64b3… cas_match_labels {"70024-69-0":"exactMatch"} group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'70024-69-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d616a500f4cd6534: {'70024-69-0': 'exactMatch'}
dc19fdac… altLabel [{"@value":"Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:70024-69-0","https://commonchemistry.cas.org/detail?cas_rn=70024-69-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=70024-69-0; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>16-24</sub>-alkyl derivs., calcium salts; object_uuid=fo-d616a500f4cd6534
dc19fdac… cas_match_labels {"70024-69-0":"exactMatch"} group_key=petroleum,mono-c16-24linearsaturatedalkarylderivatisedbenzenesulphonicacidcalciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'70024-69-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d616a500f4cd6534: {'70024-69-0': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-d616a500f4cd6534",
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      "@value": "Calcium bis(4-(icosan-3-yl)benzene-1-sulfonate)",
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      "@lang": "en",
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  "altLabel": [
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  "properties": {
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      "@value": [
        "C52H90CaO6S2"
      ],
      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/smiles_string": {
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      "@value": [
        "CCCCCCCCCCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2]"
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      "@value": [
        "InChI=1S/2C26H46O3S.Ca/c2*1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(4-2)25-20-22-26(23-21-25)30(27,28)29;/h2*20-24H,3-19H2,1-2H3,(H,27,28,29);/q;;+2/p-2"
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      "@value": [
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        "calcium bis(4-(1-ethyloctadecyl)besylate)",
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  "created_from": {
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    "seed_uuid": "1c25fa61-181e-4d76-99d4-97fac1c6fdbc",
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