3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoindenyl Propionate
fo-f8050d64caf910d0
Identity
- Type
- Neutral molecule
- CAS
- 68912-13-0
- EC
- 272-805-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
5- (Hexahydro-4,7-methanoinden-5(or 6)-yl) propionate
- (Hexahydro-4,7-methanoindenyl) propionate
- 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, propanoate
- Tricyclodecenyl propionate
- Verdyl propionate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | BALAUIYKESNHDW-UHFFFAOYSA-N, BLBJUGKATXCWET-UHFFFAOYSA-N, GEZCQGGSABUIBL-UHFFFAOYSA-N, QLIZAFFWGXEKSU-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C13H18O2/c1-2-12(14)15-11-6-5-10-8-3-4-9(7-8)13(10)11/h5-6,8-11,13H,2-4,7H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoindenyl Propionate |
| Molecular formula chemrof:molecular_formula | C13H18O2, C14H22O2 |
| SMILES string chemrof:smiles_string | CCC(=O)OC1C=CC2C3CCC(C3)C12 |
Known URLs
14Where 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=68912-13-0 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.037.725 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID20891139 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8036312 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S3ASM14UAS | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J287.068A | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J310.533D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/118980811 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3034895 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/73556279 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/86579 | enrich_references.pubchem_compound |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1659916 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q10869279 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q81981781 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a2f2dd2a-8437-4b0c-8b5d-0d94680e4bf7 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 08d6aec2-a4ae-48f1-9747-ce1a16b5f402 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| bc2eb808-932e-4d78-b3b5-7764a4f5b78f | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 13c6cf6f-15a5-44b6-a57c-45ea2b1890d3 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 6e70fd7b-f7d8-42d9-84b9-44ed64b412e3 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 5484f380-8429-4623-a308-80a0be1b4839 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| eefdd667-e31d-414c-b533-1f9bb582f812 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 8c1f1da1-977a-4723-b567-cc8659e736af | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 1d6c6d5b-8c72-4e13-8316-c8f1d0b996de | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 7abf96a6-bcad-43d6-a46f-98ab53d0f427 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fd6e2675-a17a-4c9c-8657-c3e6e24221e7 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 13631138-3c34-44c0-8e75-2db385f0b190 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 4e8c9bd7-4612-42ea-aa22-dc8146493de2 | 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