Benzoic Acid, 4-[ (1-oxodecyl) Oxy]-
fo-0c899389157cec82
Identity
- Type
- Neutral molecule
- CAS
- 86960-46-5
- EC
- 617-941-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
8- 4-[(1-Oxodecyl)oxy]benzoic acid
- 4-Carboxyphenyl decanoate
- 4-Decanoyloxybenzoic acid
- Benzoic acid, 4-[(1-oxodecyl)oxy]-
- p-Carboxyphenyl decanoate
- p-Decanoyloxybenzoic acid
- p-Hydroxybenzoic acid decanoate ester
- Para-decanoyloxybenzoic acid
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | QTMHHQFADWIZCP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C17H24O4/c1-2-3-4-5-6-7-8-9-16(18)21-15-12-10-14(11-13-15)17(19)20/h10-13H,2-9H2,1H3,(H,19,20) |
| IUPAC name chemrof:IUPAC_name | 4-Carboxyphenyl decanoate |
| Molecular formula chemrof:molecular_formula | C17H24O4 |
| Molecular mass chemrof:molecular_mass | 292.375 |
| Monoisotopic mass chemrof:monoisotopic_mass | 292.167459 |
| SMILES string chemrof:smiles_string | CCCCCCCCCC(=O)Oc1ccc(C(=O)O)cc1 |
Known URLs
6Where 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=86960-46-5 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.111.065 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID60394134 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.638.522K | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3608562 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q82193357 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ec5b4ecd-4fcd-4ca8-949e-2fa53b6ef3a9 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| cae16646-54d9-4824-ac5a-97dce37b7093 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 7df6f03e-401c-4bb3-8e92-a5dfd578201a | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 4a3a1aaf-9f72-47cc-b99d-e49b8c015803 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 1b1ee054-de67-4ff0-a6b9-a053d66d4c76 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| dbb09747-1a61-417b-b47d-2a9844ccef3c | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| de4206bc-294f-4765-b522-6c7d44a225e1 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 61e7fd2c-9997-4197-94af-7c13a8d58962 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 94bf66d4-7343-4c2a-85f3-26cb1bc178d4 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| d249de0c-b49a-4465-a4d6-92e6ac5efa62 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 34fe06bc-70a6-496d-8661-2174c9e5fe02 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| eb51b69f-4457-45b5-b237-c4e1285012ff | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 0ce58d7d-2d75-4529-a27f-e0dd27882fda | 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