2-phenylhexanenitrile
fo-14f82a872d3bcd4d
Identity
- Type
- Neutral molecule
- CAS
- 3508-98-3
- EC
- 423-460-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
8- 1-Cyano-1-phenylpentane
- 2-Phenylcapronitrile
- 2-Phenylhexanonitrile
- Benzeneacetonitrile, α-butyl-
- Butylphenylacetonitrile
- Hexanenitrile, 2-phenyl-
- α-Butylbenzeneacetonitrile
- α-Phenylcaprononitrile
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | OTERUZJEJFMEEB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H15N/c1-2-3-7-12(10-13)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 2-phenylhexanenitrile |
| Molecular formula chemrof:molecular_formula | C12H15N |
| Molecular mass chemrof:molecular_mass | 173.259 |
| Monoisotopic mass chemrof:monoisotopic_mass | 173.120449 |
| SMILES string chemrof:smiles_string | CCCCC(C#N)c1ccccc1 |
Known URLs
7Where 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=3508-98-3 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.102.201 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2052027 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=41712 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J819.058E | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/97799 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q72501937 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 2f72bfd4-5be6-41de-b40b-f478e886589a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 95a6022e-4c43-4d96-ae96-78e906fc2304 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| a726ffe1-ba2d-4a9a-be86-08490459f88a | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| f22f3318-47aa-4a6c-b07c-2c7cf162b74b | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 47c10d20-5676-4cf7-9231-25d7b0b3b70f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 39da7543-1c97-4ca7-9640-a5df25cdacd7 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 1368605d-b616-45fc-ad33-3039fcd4c776 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 48b361aa-7090-4cfa-bbc9-55d43deba2de | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| f04fa650-994a-423e-864f-5666501b97f3 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| a8fbb9bb-9cf3-473b-8eb8-f5e41ff09f76 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d9e978d3-bc6e-4c16-ba72-26f48e6a8461 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| b5451358-7f96-473f-85f8-b57cbda2dd73 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| e93b721c-761a-4155-9efc-2b3278acb012 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 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