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
Alternative labels
6- 1-Octanol, 2-butyl-, 1-(hydrogen sulfate), sodium salt (1:1)
- 1-Octanol, 2-butyl-, hydrogen sulfate, sodium salt
- Isofol 12S
- Sodium 2-butyl-1-octyl sulfate
- sodium 2-butyloctyl sulphate
- sulfuric acid 2-butyloctyl sodium salt
Properties
| Property | Value |
|---|---|
| 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
9Where 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 | 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)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
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