2-(2-butoxyethoxy)ethyl Thiocyanate
fo-729e737a5808046f
Identity
- Type
- Neutral molecule
- CAS
- 112-56-1
- EC
- 203-985-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
7- 1-(2-(2-Thiocyanatoethoxy)ethoxy)butane
- 1-Butoxy-2-(2-thiocyanoethoxy)ethane
- 3,6-Dioxadecyl thiocyanate
- Butyl carbitol rhodanate
- Butyl carbitol thiocyanate
- Lethane
- Thiocyanic acid, 2-(2-butoxyethoxy)ethyl ester
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | JVGPVVUTUMQJKL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H17NO2S/c1-2-3-4-11-5-6-12-7-8-13-9-10/h2-8H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 2-(2-butoxyethoxy)ethyl Thiocyanate |
| Molecular formula chemrof:molecular_formula | C9H17NO2S |
| Molecular mass chemrof:molecular_mass | 203.307 |
| Monoisotopic mass chemrof:monoisotopic_mass | 203.098 |
| SMILES string chemrof:smiles_string | CCCCOCCOCCSC#N |
Known URLs
11Where 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=112-56-1 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.623 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6024674 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3534 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1867205 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z8ANL9B54I | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.128D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8196 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2810 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018417 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27295138 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5ee10346-8ba5-496f-bde8-840586818fed | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 3ee2d743-fad7-4f80-ac21-5c1fbb9b4e12 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 20209117-7d72-4498-9b10-30ae9562f7ca | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| f2a2f02b-ecc6-4279-a9d4-e5ec71d4c6a4 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 9348b24e-d12f-4d50-a48d-ca24bcf378f1 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 2a7e8115-cc2f-4714-a5e7-49f161cebb9b | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 8e777826-6304-4dc9-8b89-938b179cd696 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 09094b74-6f8a-4eb8-a6a2-7ac653b5709b | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 4c251818-110e-4a5c-9bbb-e970fd2af17a | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 7fe8bbcc-1bb7-464d-af74-bab961353564 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1aea3fcb-9d2b-45bd-8f23-e4bbc8ae2f00 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| dd71450f-c9df-4d26-b14b-2cc55288eb69 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| d901799e-da8e-4be1-9886-18b8f95fa023 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 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