3,3-diethoxypropene
fo-247c1adb2ac046df
Identity
- Type
- Neutral molecule
- CAS
- 3054-95-3
- EC
- 221-276-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
8- 1,1-Diethoxy-2-propene
- 1-Propene, 3,3-diethoxy-
- 3,3-Diethoxy-1-propene
- Acrolein, diethyl acetal
- Acrylaldehyde diethyl acetal
- Acrylylaldehyde diethyl acetal
- Propenal diethyl acetal
- Propene, 3,3-diethoxy-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | MCIPQLOKVXSHTD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3 |
| IUPAC name chemrof:IUPAC_name | 3,3-diethoxypropene |
| Molecular formula chemrof:molecular_formula | C7H14O2 |
| Molecular mass chemrof:molecular_mass | 130.187 |
| Monoisotopic mass chemrof:monoisotopic_mass | 130.09938 |
| SMILES string chemrof:smiles_string | C=CC(OCC)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=3054-95-3 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.019.343 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0020024 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60135 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182978 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/33XN703369 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J83.950G | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/62477 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2374 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27256306 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f707cb74-1906-443d-a54a-ecc9a5f14137 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 7d2ecb97-8298-4e29-9714-694768d9be9f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 3a0572d0-0c38-4da2-99fe-c684896709b8 | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| e77658d1-bbcc-48ff-b078-6b27506efacd | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 196b2f43-6308-44e4-ab6c-be8ea16d54a3 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 12705edd-46df-4099-a2b7-ef1af29c91e6 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| c5bac12f-8f1e-4c31-9c04-696d8a6a625d | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| c9d610cc-e7f5-42f2-8cd1-f5dcba442c62 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| e2dd60d9-20ca-43f1-9165-62e30b9b20bb | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| a65c847c-3571-4ab6-8cef-26c0ceb948d7 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 550f49b0-74d4-4466-98d5-a67a9254c1cb | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| c5bf9c98-56fa-4884-a488-b56cb91fb3f6 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 4098f12e-6b9a-4079-b707-b600f7862269 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
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