Ethyl 2-oxocyclohexanecarboxylate
fo-dc8d2f5e3013d13d
Identity
- Type
- Neutral molecule
- CAS
- 1655-07-8
- EC
- 216-731-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
10- 2-(Ethoxycarbonyl)cyclohexanone
- 2-Carbethoxycyclohexanone
- 2-Carboethoxycyclohexanone
- 2-Oxocyclohexanecarboxylic acid ethyl ester
- Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester
- Ethyl 1-oxo-2-cyclohexanecarboxylate
- Ethyl 2-cyclohexanone-1-carboxylate
- Ethyl 2-oxo-1-cyclohexanecarboxylate
- Ethyl 2-oxocyclohexan-1-carboxylate
- Ethyl cyclohexanone-2-carboxylate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | FGSGHBPKHFDJOP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H14O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7H,2-6H2,1H3 |
| IUPAC name chemrof:IUPAC_name | Ethyl 2-oxocyclohexanecarboxylate |
| Molecular formula chemrof:molecular_formula | C9H14O3 |
| Molecular mass chemrof:molecular_mass | 170.208 |
| Monoisotopic mass chemrof:monoisotopic_mass | 170.094294 |
| SMILES string chemrof:smiles_string | CCOC(=O)C1CCCCC1=O |
Known URLs
9Where 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=1655-07-8 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.015.211 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID70883706 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=18744 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8V73BMH08Z | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J40.677E | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/95543 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017685 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27271069 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 66115365-7c26-4a18-8249-1865c7835af3 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 76e57398-9d76-4252-b163-be612e127700 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| f8642c70-5c89-4a7a-84b7-6082f9fdca11 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| f193bce6-afbe-4dec-b858-db6829c5eebb | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5e21c921-e6a8-4027-93cd-75f04be7f68d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 313f4cc3-e594-4017-a283-77e3f2e32d75 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| fe28082d-899a-4832-8fe5-a39402041c94 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| a4c4ec78-ed1d-4da1-bd91-d9cba579dee8 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 6916d68b-8612-48e2-b636-812fd2e795e1 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 849105d5-fbc4-4c00-be60-d70aa719fbc6 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 027789d8-1010-4c1b-9141-9b13ac8ec602 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| b9d252a5-5b00-4582-9ed1-dce2b1448084 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 00ccd0e6-0c72-4db1-b95c-9b093213705e | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
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