Propane-1,3-diyl Dioctanoate
fo-a67f99fe019664e3
Identity
- Type
- Neutral molecule
- CAS
- 56519-71-2
- EC
- 700-003-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
6- 1,3-Propanediol dicaprylate
- 1,3-Propanediol dioctanoate
- Dub Zenoat
- Octanoic acid, 1,1′-(1,3-propanediyl) ester
- Octanoic acid, 1,3-propanediyl ester
- Octanoic acid, trimethylene ester
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | XBBMJUWOCGWHRP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C19H36O4/c1-3-5-7-9-11-14-18(20)22-16-13-17-23-19(21)15-12-10-8-6-4-2/h3-17H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Propane-1,3-diyl Dioctanoate |
| Molecular formula chemrof:molecular_formula | C19H36O4 |
| Molecular mass chemrof:molecular_mass | 328.493 |
| Monoisotopic mass chemrof:monoisotopic_mass | 328.26136 |
| SMILES string chemrof:smiles_string | CCCCCCCC(=O)OCCCOC(=O)CCCCCCC |
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=56519-71-2 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.115.750 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5074058 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/C577OMC6UH | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J106.495I | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3085110 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27275208 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 779c13de-3464-4d5b-bed7-7c0e1239d0cd | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 88cd3d0f-162d-4be3-9c61-0e8423f5d6c4 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 3aad834e-0225-4384-892d-f01d0caaf09a | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 4f44da09-6577-4199-b154-680ae0faaa61 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f8cf5ab6-f36f-4536-9577-0cff4a97bb8b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 07436d0b-7452-4878-9873-9a574c2ed501 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 5c3dc812-d89a-4ca6-9111-81d762f7cf88 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| c812ecb6-c134-44a9-999c-c2ead80e6832 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 8248822b-49e6-43c5-a6f4-9cbd7d5e8782 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 79211a8b-ad21-44dc-931a-30879a277f84 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1f414468-8c94-44c6-bf01-8ceb9f6f01e0 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| f90023b8-17b1-45f9-9b8b-a9419747b8a3 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| f27faf56-96eb-4578-afa9-e1f227b7d61e | 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