Consensus flow list

Identity

Type
Chemical salt
CAS
25155-30-0
EC
246-680-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Sodium Laurylbenzenesulfonate

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

141

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GVGUFUZHNYFZLC-UHFFFAOYSA-N, HFQQZARZPUDIFP-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C18H30O3S.Na/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);/q;+1/p-1, InChI=1S/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18;/h11-13,15-16H,2-10,14,17H2,1H3;
IUPAC name chemrof:IUPAC_name sodium 2-dodecylbenzenesulfonate, sodium 2-laurylbesylate
Molecular formula chemrof:molecular_formula C18H29NaO3S, C18H30NaO3S
SMILES string chemrof:smiles_string CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Na+], CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1.[Na]

Known URLs

11

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=25155-30-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.035.639 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.042.422 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.143.315 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0041642 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2855754K9T enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J169.466I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23662403 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/57371080 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1366931 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27254266 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3e4cdb5c-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-9908-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6910cc26-cf1f-43cb-b968-a89d5cd2ff44 Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-9907-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9909-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-9906-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9904-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-990d-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9905-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-990b-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-95d6-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-990a-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
08a91e70-3ddc-11dd-990c-0050c2490048 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": "AS 101-1",
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    {
      "@value": "Benzenesulfonic acid, dodecyl-, sodium salt",
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    {
      "@value": "Bio-Soft S 101 sodium salt",
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      "@value": "Caflon NAS 30",
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      "@value": "Caflon SNA",
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    },
    {
      "@value": "Conco AAS 35",
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      "@value": "Conoco C 550",
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    {
      "@value": "Coulter Dispersant IIA",
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    },
    {
      "@value": "DBS-G 15",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Deterlon",
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      "@value": "Deterlon A",
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      "@value": "Disponil A 19",
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      "@value": "Disponil LBDS 55",
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    {
      "@value": "Disponil LDBS 55",
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    },
    {
      "@value": "DoBS",
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    },
    {
      "@value": "Dodecylbenzenesulfonic acid sodium salt",
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      "provenance": {
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      }
    },
    {
      "@value": "DS 4AP",
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    },
    {
      "@value": "DSB",
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      "@value": "DSB (surfactant)",
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      "@value": "Elecut S 412",
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      "@value": "Elecut S 412-2",
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      "@value": "Elfan WA 35",
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      "@value": "Elfan WA 50",
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      "@value": "Elfan WA Powder",
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