Ethyl 3,5-dichloro-4-hexadecyloxycarbonyloxybenzoate
fo-a052c5b9b090dd9c
Identity
- Type
- Neutral molecule
- CAS
- 115895-09-5
- EC
- 404-740-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
2- Benzoic acid, 3,5-dichloro-4-[[(hexadecyloxy)carbonyl]oxy]-, ethyl ester
- Ethyl 3,5-dichloro-4-[[(hexadecyloxy)carbonyl]oxy]benzoate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | DFMGMJBWBQNZNK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C26H40Cl2O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-26(30)33-24-22(27)19-21(20-23(24)28)25(29)31-4-2/h19-20H,3-18H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Ethyl 3,5-dichloro-4-hexadecyloxycarbonyloxybenzoate |
| Molecular formula chemrof:molecular_formula | C26H40Cl2O5 |
| Molecular mass chemrof:molecular_mass | 503.507 |
| Monoisotopic mass chemrof:monoisotopic_mass | 502.22528 |
| SMILES string chemrof:smiles_string | CCCCCCCCCCCCCCCCOC(=O)Oc1c(Cl)cc(C(=O)OCC)cc1Cl |
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=115895-09-5 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.100.634 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.124.552 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID80888883 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J200.503D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/15131568 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q82868640 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 223b330d-27e7-4425-9a16-b2f97e29e9e1 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| fa6912dc-3ae4-412e-afcc-300c8bb26507 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 208c83ae-7b47-4b69-8c33-3c8f921a9b15 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| c079e629-a298-48bc-bb16-8b8cd5a18770 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 56082e76-375e-4c61-a407-b9215cde328b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 019df6b5-a54d-453b-a06d-dd0e1ccd4297 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 30f0593d-aa04-4518-8224-53be1347f838 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 69e67224-efc2-41a1-950c-da8dfd012b98 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 18440a9a-4f2d-4dfc-a5da-ba0b7768bc7d | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 8a1d8972-83cb-4e05-8bdd-8ceed133be68 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| bcb2f84d-c84a-409b-93d2-484942db4577 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 5f48533d-f31d-4351-835b-8bce83cb33db | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| afd38646-28d8-4688-91ed-ac2bb337a6e3 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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- This is not that chemical
- This record is two substances, or it is a second copy of one
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