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4-(4,6,8-trimethyl-3-nonanyl)benzenesulfate, calcium salt

Flow Object IDfo-77ad402fa7c43f53
TypeConsensus
prefLabel
Label Language
4-(4,6,8-trimethyl-3-nonanyl)benzenesulfate, calcium salt en
Alt Labels
Label Language Provenance
Benzenesulfonic Acid, Mono-c11-13-branched Alkyl Derivs., Calcium Salts en —
Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts en —
CAS Numbers68953-96-8
EC Numbers273-234-6
Changes Applied26

Properties

Predicate Value
InChIKey MJDRWFNUPPHITA-UHFFFAOYSA-L
InChI InChI=1S/2C18H30O3S.Ca/c2*1-6-18(15(5)12-14(4)11-13(2)3)16-7-9-17(10-8-16)22(19,20)21;/h2*7-10,13-15,18H,6,11-12H2,1-5H3,(H,19,20,21);/q;;+2/p-2
IUPAC name calcium bis(4-(1-ethyl-2,4,6-trimethyl-heptyl)benzenesulfonate), calcium bis(4-(1-ethyl-2,4,6-trimethyl-heptyl)besylate), calcium bis(4-(4,6,8-trimethylnonan-3-yl)benzenesulfonate)
Molecular formula C36H58CaO6S2
SMILES CCC(C1=CC=C(C=C1)S(=O)(=O)[O-])C(C)CC(C)CC(C)C.CCC(C1=CC=C(C=C1)S(=O)(=O)[O-])C(C)CC(C)CC(C)C.[Ca+2]

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
7cc10552… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
efa5163e… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
5b2bcaf4… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
0071b1ec… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
97e019d4… EF 3.1 kg Environmental → Air → Unknown 2 2
de9bce9a… EF 3.1 kg Environmental → Air → Unknown 2 2
a59d4116… EF 3.1 kg Environmental → Ground → Agricultural 2 2
939b3003… EF 3.1 kg Environmental → Ground → Unknown 2 2
9b715ff6… EF 3.1 kg Environmental → Water → Ocean 2 2
33c745cb… EF 3.1 kg Environmental → Water → Surface water 2 2
22aeb53c… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
0071b1ec… altLabel — [{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68953-96-8","https://commonchemistry.cas.org/detail?cas_rn=68953-96-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68953-96-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts; object_uuid=fo-77ad402fa7c43f53
0071b1ec… cas_match_labels — {"68953-96-8":"exactMatch"} group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68953-96-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-77ad402fa7c43f53: {'68953-96-8': 'exactMatch'}
082c07c4… altLabel — [{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68953-96-8","https://commonchemistry.cas.org/detail?cas_rn=68953-96-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68953-96-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts; object_uuid=fo-77ad402fa7c43f53
082c07c4… cas_match_labels — {"68953-96-8":"exactMatch"} group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68953-96-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-77ad402fa7c43f53: {'68953-96-8': 'exactMatch'}
22aeb53c… altLabel — [{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68953-96-8","https://commonchemistry.cas.org/detail?cas_rn=68953-96-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68953-96-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts; object_uuid=fo-77ad402fa7c43f53
22aeb53c… cas_match_labels — {"68953-96-8":"exactMatch"} group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68953-96-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-77ad402fa7c43f53: {'68953-96-8': 'exactMatch'}
33c745cb… altLabel — [{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68953-96-8","https://commonchemistry.cas.org/detail?cas_rn=68953-96-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68953-96-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts; object_uuid=fo-77ad402fa7c43f53
33c745cb… cas_match_labels — {"68953-96-8":"exactMatch"} group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68953-96-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-77ad402fa7c43f53: {'68953-96-8': 'exactMatch'}
5b2bcaf4… altLabel — [{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68953-96-8","https://commonchemistry.cas.org/detail?cas_rn=68953-96-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68953-96-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts; object_uuid=fo-77ad402fa7c43f53
5b2bcaf4… cas_match_labels — {"68953-96-8":"exactMatch"} group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68953-96-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-77ad402fa7c43f53: {'68953-96-8': 'exactMatch'}
7cc10552… altLabel — [{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68953-96-8","https://commonchemistry.cas.org/detail?cas_rn=68953-96-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68953-96-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts; object_uuid=fo-77ad402fa7c43f53
7cc10552… cas_match_labels — {"68953-96-8":"exactMatch"} group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68953-96-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-77ad402fa7c43f53: {'68953-96-8': 'exactMatch'}
939b3003… altLabel — [{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68953-96-8","https://commonchemistry.cas.org/detail?cas_rn=68953-96-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68953-96-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts; object_uuid=fo-77ad402fa7c43f53
939b3003… cas_match_labels — {"68953-96-8":"exactMatch"} group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68953-96-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-77ad402fa7c43f53: {'68953-96-8': 'exactMatch'}
94b00e72… altLabel — [{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68953-96-8","https://commonchemistry.cas.org/detail?cas_rn=68953-96-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68953-96-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts; object_uuid=fo-77ad402fa7c43f53
94b00e72… cas_match_labels — {"68953-96-8":"exactMatch"} group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68953-96-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-77ad402fa7c43f53: {'68953-96-8': 'exactMatch'}
97e019d4… altLabel — [{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68953-96-8","https://commonchemistry.cas.org/detail?cas_rn=68953-96-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68953-96-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts; object_uuid=fo-77ad402fa7c43f53
97e019d4… cas_match_labels — {"68953-96-8":"exactMatch"} group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68953-96-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-77ad402fa7c43f53: {'68953-96-8': 'exactMatch'}
9b715ff6… altLabel — [{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68953-96-8","https://commonchemistry.cas.org/detail?cas_rn=68953-96-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68953-96-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts; object_uuid=fo-77ad402fa7c43f53
9b715ff6… cas_match_labels — {"68953-96-8":"exactMatch"} group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68953-96-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-77ad402fa7c43f53: {'68953-96-8': 'exactMatch'}
a59d4116… altLabel — [{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68953-96-8","https://commonchemistry.cas.org/detail?cas_rn=68953-96-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68953-96-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts; object_uuid=fo-77ad402fa7c43f53
a59d4116… cas_match_labels — {"68953-96-8":"exactMatch"} group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68953-96-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-77ad402fa7c43f53: {'68953-96-8': 'exactMatch'}
de9bce9a… altLabel — [{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68953-96-8","https://commonchemistry.cas.org/detail?cas_rn=68953-96-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68953-96-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts; object_uuid=fo-77ad402fa7c43f53
de9bce9a… cas_match_labels — {"68953-96-8":"exactMatch"} group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68953-96-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-77ad402fa7c43f53: {'68953-96-8': 'exactMatch'}
efa5163e… altLabel — [{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68953-96-8","https://commonchemistry.cas.org/detail?cas_rn=68953-96-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68953-96-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts; object_uuid=fo-77ad402fa7c43f53
efa5163e… cas_match_labels — {"68953-96-8":"exactMatch"} group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68953-96-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-77ad402fa7c43f53: {'68953-96-8': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-77ad402fa7c43f53",
  "prefLabel": [
    {
      "@value": "4-(4,6,8-trimethyl-3-nonanyl)benzenesulfate, calcium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
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        "prov:wasDerivedFrom": "prefLabel"
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  ],
  "altLabel": [
    {
      "@value": "Benzenesulfonic Acid, Mono-c11-13-branched Alkyl Derivs., Calcium Salts",
      "@language": "en",
      "@lang": "en",
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  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C36H58CaO6S2"
      ],
      "rdfs:label": "Molecular formula",
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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      "rdfs:label": "InChIKey",
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    "https://w3id.org/chemrof/smiles_string": {
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      "@value": [
        "CCC(C1=CC=C(C=C1)S(=O)(=O)[O-])C(C)CC(C)CC(C)C.CCC(C1=CC=C(C=C1)S(=O)(=O)[O-])C(C)CC(C)CC(C)C.[Ca+2]"
      ],
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
        "InChI=1S/2C18H30O3S.Ca/c2*1-6-18(15(5)12-14(4)11-13(2)3)16-7-9-17(10-8-16)22(19,20)21;/h2*7-10,13-15,18H,6,11-12H2,1-5H3,(H,19,20,21);/q;;+2/p-2"
      ],
      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "calcium bis(4-(1-ethyl-2,4,6-trimethyl-heptyl)benzenesulfonate)",
        "calcium bis(4-(1-ethyl-2,4,6-trimethyl-heptyl)besylate)",
        "calcium bis(4-(4,6,8-trimethylnonan-3-yl)benzenesulfonate)"
      ],
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  "references": [
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