Brightway Flows 1.0
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Dodecylbenzenesulphonic Acid

fo-a90779d305bca3ab

Identity

Type
Neutral molecule
CAS
27176-87-0
EC
248-289-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Dodecylbenzenesulphonic Acid

Alternative labels

48

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GQOZDMBWGLMZKL-UHFFFAOYSA-N, KWXICGTUELOLSQ-UHFFFAOYSA-N, LPTWEDZIPSKWDG-UHFFFAOYSA-N, WBIQQQGBSDOWNP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)
IUPAC name chemrof:IUPAC_name Dodecylbenzenesulphonic Acid
Molecular formula chemrof:molecular_formula C18H30O3S, C18H32O3S, C54H90O9S3
SMILES string chemrof:smiles_string CCCCCCCCCCCCc1ccccc1S(=O)(=O)O

Known URLs

24

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=27176-87-0 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:149774 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:149776 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.082 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.043.885 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1470 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10860152 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8050443 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2219674 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OC21S23N1O enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QMO4A07H35 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031031 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0059915 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J181.022G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J181.024C enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44665 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=78517 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/19065493 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/25455 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/25457 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8485 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2586 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q27285559 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q27287337 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
cbc748b7-06dd-4915-b400-b8a5b940c486 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
bcecc775-7702-4596-a430-1f8de2f7cf0b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
db6cc984-8029-4035-aeeb-2e4835404b33 Environmental → Air → Indoor EF 3.1 kg 2
20ee4640-fb7d-454a-a000-e24c514fea6e Environmental → Air → Long-term EF 3.1 kg 0
41a2b520-2a3a-4bb0-a2d5-e5d63f24f276 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4ffa358b-bfd3-47ba-8709-36fde8b764cc Environmental → Air → Unknown EF 3.1 kg 2
aaae0e0d-ba4d-4f9f-bd2f-78f74df833a0 Environmental → Ground → Agricultural EF 3.1 kg 2
a3971d9f-c550-43af-afc9-87975cb6ccd1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fa7299fa-936d-48a7-93dc-1ce1926d4b2e Environmental → Ground → Unknown EF 3.1 kg 2
8a7a2988-d8bd-447f-ac9f-59121f0fd8df Environmental → Water → Long-term EF 3.1 kg 0
fc99deca-cd04-4917-a96f-9cfc8ec44e97 Environmental → Water → Ocean EF 3.1 kg 2
2e09aed0-ea80-4036-97fb-13342986a409 Environmental → Water → Surface water EF 3.1 kg 2
1944e518-f234-4c7e-a947-524c2627474d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
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      "@value": "Elfan WA Sulfonic Acid",
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    },
    {
      "@value": "Laurylbenzenesulfonic acid",
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      "@value": "Lipon LH 500",
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    {
      "@value": "Lunan A 98",
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      "@value": "Maranil DBS",
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      "@value": "Marlon AS 3",
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      }
    },
    {
      "@value": "n-Dodecylbenzenesulfonic acid",
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    {
      "@value": "Nacconol 98SA",
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    },
    {
      "@value": "Nacure XC-C 203",
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      "@value": "Nacure XP 221",
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    },
    {
      "@value": "Nansa SSA",
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    },
    {
      "@value": "Neopelex GS",
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    },
    {
      "@value": "Neopelex GS-P",
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    },
    {
      "@value": "P 3 Vetralat",
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    {
      "@value": "Pelex F 25",
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    {
      "@value": "Polystep A 13",
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    {
      "@value": "Rhodacal SSA/A",
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    {
      "@value": "Richonic Acid B",
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    },
    {
      "@value": "Soft Osen 5S",
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    },
    {
      "@value": "Sulfosoft",
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    },
    {
      "@value": "Taycacure AC 400S",
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      "@value": [
        "27176-87-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=27176-87-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=27176-87-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "248-289-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=248-289-4"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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