Allyl 3-cyclohexylpropanoate
fo-497b3a685f4b6bd0
Identity
- Type
- Neutral molecule
- CAS
- 2705-87-5
- EC
- 220-292-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
10- 2-Propenyl 3-cyclohexylpropanoate
- 2-Propenyl cyclohexanepropionate
- Allyl 3-cyclohexylpropionate
- Allyl cyclohexanepropanoate
- Allyl cyclohexanepropionate
- Allyl cyclohexylpropionate
- Ananolide
- Cyclohexanepropanoic acid, 2-propen-1-yl ester
- Cyclohexanepropanoic acid, 2-propenyl ester
- Cyclohexanepropionic acid, allyl ester
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | TWXUTZNBHUWMKJ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2 |
| IUPAC name chemrof:IUPAC_name | Allyl 3-cyclohexylpropanoate |
| Molecular formula chemrof:molecular_formula | C12H20O2 |
| Molecular mass chemrof:molecular_mass | 196.29 |
| Monoisotopic mass chemrof:monoisotopic_mass | 196.14633 |
| SMILES string chemrof:smiles_string | C=CCOC(=O)CCC1CCCCC1 |
Known URLs
16Where 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=2705-87-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31188 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.018.447 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8044755 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184129 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/allyl-cyclohexanepropionate | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H4W9H3L241 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0040206 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.039B | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C12306 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C12306 | enrich_references.pubchem_identifier_url |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA07010775 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=48904 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/17617 | enrich_references.pubchem_compound |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/2383931 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q15726034 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 8f047641-8857-42be-b9e9-cad7d8dca449 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 0db99610-bac9-4555-8bbd-038a913fde73 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 63c90d6b-a558-41d5-9266-de1d5555451c | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| ac9f6e40-13e7-46f6-9066-b5b55db0e5f9 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 7c8e0b82-7d01-4079-8821-a911b0336b7b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 089208dd-7208-4e68-b2b9-b2275c91b1a9 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| f4763826-71be-4063-a202-f233f2eb2524 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 01a04b05-1388-4713-9e48-8ec705bea6aa | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| e0e17bf3-d3ff-47e2-bca8-ba5399e0b338 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| db648a20-d26c-4cc4-b059-bb0bb6148f6f | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 2a2915c2-d46c-4d58-b962-0f90ce9faf2b | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 97007839-3a10-4be2-aa84-5e4f4631e2d7 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| bb0a101b-d5cb-474a-807f-660044441c93 | 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