Consensus flow list

Sodium 2-butyloctyl Sulfate

fo-c016561e168e7480

Identity

Type
Chemical salt
CAS
94200-74-5
EC
303-553-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium 2-butyloctyl Sulfate

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QHVJMQSXCDOHMT-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C12H26O4S.Na/c1-3-5-7-8-10-12(9-6-4-2)11-16-17(13,14)15;/h12H,3-11H2,1-2H3,(H,13,14,15);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium 2-butyloctyl Sulfate
Molecular formula chemrof:molecular_formula C12H25NaO4S, C12H25O4S.Na
Molecular mass chemrof:molecular_mass 288.385
Monoisotopic mass chemrof:monoisotopic_mass 288.13712, 288.137125
SMILES string chemrof:smiles_string CCCCCCC(CCCC)COS(=O)(=O)[O-].[Na+]

Known URLs

9

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=94200-74-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:155875 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.094.097 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90916166 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TS6E6BVN59 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J319.120F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23679910 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/24437579 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q82887324 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6d9e7bf0-54c1-48eb-83b7-21fef98fc5bc Environmental → Air → Aircraft cruise height EF 3.1 kg 4
221bdb5a-d62d-4029-86f9-748a358b6b40 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3fd6229b-e225-402f-acdb-b6e9b9be53f5 Environmental → Air → Indoor EF 3.1 kg 4
331d9a49-e950-4b41-8a76-e8997713fc06 Environmental → Air → Long-term EF 3.1 kg 0
4226d359-38fd-4893-8c00-28ff22864d51 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1b0b1a72-b4e7-4a2a-9185-9d9cbaac3537 Environmental → Air → Unknown EF 3.1 kg 4
a6e50efc-3331-4454-aa35-e413b246c3a2 Environmental → Ground → Agricultural EF 3.1 kg 4
c5185df3-fc87-4242-a1bc-7911ef6974a8 Environmental → Ground → Non-agricultural EF 3.1 kg 4
306a6e7a-4063-448b-8154-6d145b7bd232 Environmental → Ground → Unknown EF 3.1 kg 4
b26d61c5-8816-42a1-b93f-2c175823c316 Environmental → Water → Long-term EF 3.1 kg 0
779f77a8-8160-4023-bacd-6414a4a727d6 Environmental → Water → Ocean EF 3.1 kg 4
acadf6d5-7443-40b3-ba6c-739b3785ceef Environmental → Water → Surface water EF 3.1 kg 4
03fe807c-bae6-40bb-9e6d-a80e6a45e063 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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