Ethyl 3-ethoxypropionate
fo-e1117b642fa03137
Identity
- Type
- Neutral molecule
- CAS
- 763-69-9
- EC
- 212-112-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
13- 3-Ethoxypropionic acid ethyl ester
- Ektapro EEP
- Ethyl 3-ethoxypropanoate
- Ethyl 4-oxahexanoate
- Ethyl ethoxypropionate
- Ethyl β-ethoxypropionate
- Powerblox SV 33
- Propanoic acid, 3-ethoxy-, ethyl ester
- Propionic acid, 3-ethoxy-, ethyl ester
- Sankio EEP
- Solfine EP
- Ucar Ester EEP
- β-Ethoxypropionic acid ethyl ester
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | BHXIWUJLHYHGSJ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Ethyl 3-ethoxypropionate |
| Molecular formula chemrof:molecular_formula | C7H14O3 |
| Molecular mass chemrof:molecular_mass | 146.186 |
| Monoisotopic mass chemrof:monoisotopic_mass | 146.094294 |
| SMILES string chemrof:smiles_string | CCOCCC(=O)OCC |
Known URLs
10Where 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=763-69-9 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.011.011 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0027309 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8870 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3561286 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EC38RSJ79J | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J25.585H | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/12989 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1993 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q22829038 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f3edd10e-a35f-46fe-b99a-37ba9250e12b | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 98737ede-554a-418d-8ae2-bf394a8aec9e | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 5981ad55-9f8d-4919-af38-ade5a3f3d138 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 13bb2925-80b6-4f95-b2b6-3866d65d0b74 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 8fe85506-4989-4008-8840-4b79cde7364d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 6380d981-7813-4b96-9a45-7c512a02fa37 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| f54279cd-a691-47a6-a0d9-bc95eada3cc5 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 482f2742-ea45-4622-8656-1816782bc00f | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 2fec61ef-08dd-4468-b712-6800d727499c | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| ff365a1d-1720-4521-85b3-7e6047de5e7c | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| a6633fe9-74fa-4b12-98db-b3bb5cff6801 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 641e4201-95e6-4c70-ac5f-8d29bae61c71 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| c6de3f8c-66b5-4c00-90b4-7d35339f36ee | 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