Dodecyl Benzenesulphonate

Benzenesulfonic acid, dodecyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	YRIUSKIDOIARQF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C18H30O3S/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	Dodecyl Benzenesulphonate
Molecular formula chemrof:molecular_formula	C18H30O3S
Molecular mass chemrof:molecular_mass	326.502
Monoisotopic mass chemrof:monoisotopic_mass	326.191566
SMILES string chemrof:smiles_string	CCCCCCCCCCCCOS(=O)(=O)c1ccccc1

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=1330-69-4	enrich_references.pubchem_identifier_url
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=1886-81-3	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.015.960	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID30153351	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0251568	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J152.195K	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/15900	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q83020217	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
bf285c3a-fe8d-4d03-907b-bdecba5baa90	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
bb5d4157-6a6b-48d2-8d52-51c97cfc3008	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
6603d4f6-8f91-4e01-8032-fb6aacd8ed15	Environmental → Air → Indoor	EF 3.1	kg	2
2b328a38-170c-4b93-b6b1-8047e64d3aa2	Environmental → Air → Long-term	EF 3.1	kg	0
149b21ec-09ef-44af-a529-35160d1b6ea8	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
6ad5e5b7-45c2-4ad7-9658-81698448018a	Environmental → Air → Unknown	EF 3.1	kg	2
a520a04b-5fa4-42db-a050-1f1cc7edf8ba	Environmental → Ground → Agricultural	EF 3.1	kg	2
72f889c1-0555-46f4-8159-d8b35413110c	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
24400e77-2c36-44f4-858a-b0ab4ccd0bf4	Environmental → Ground → Unknown	EF 3.1	kg	2
f536d1a0-2fdf-4731-be74-c2d2b7e92321	Environmental → Water → Long-term	EF 3.1	kg	0
8be85d6d-175e-4c0c-b27e-4607ec999178	Environmental → Water → Ocean	EF 3.1	kg	2
9ae978f7-c591-4a06-aaf0-011cf739d4a5	Environmental → Water → Surface water	EF 3.1	kg	2
05808f69-ef78-466e-92c4-200e8526b72b	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

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Flow object JSON

{
  "flow_object_id": "fo-5ee313f291eb284a",
  "prefLabel": [
    {
      "@value": "Dodecyl Benzenesulphonate",
      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "Benzenesulfonic acid, dodecyl ester",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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        "C18H30O3S"
      ],
      "attested_by": {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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Dodecyl Benzenesulphonate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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