Diethyl 1,4-cyclohexanedicarboxylate
fo-f121c0f83fc179cd
Identity
- Type
- Neutral molecule
- CAS
- 72903-27-6
- EC
- 417-310-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
4- 1,4-Cyclohexane dicarboxylic diethyl ester
- 1,4-Cyclohexanedicarboxylic acid, 1,4-diethyl ester
- 1,4-Cyclohexanedicarboxylic acid, diethyl ester
- Fructalate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | KRJHRNUTLDTSKY-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H20O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h9-10H,3-8H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Diethyl 1,4-cyclohexanedicarboxylate |
| Molecular formula chemrof:molecular_formula | C12H20O4 |
| Molecular mass chemrof:molecular_mass | 228.288 |
| Monoisotopic mass chemrof:monoisotopic_mass | 228.136159 |
| SMILES string chemrof:smiles_string | CCOC(=O)C1CCC(C(=O)OCC)CC1 |
Known URLs
11Where 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=72903-27-6 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.101.618 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.162.615 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID001248653 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0052469 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=78975 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.250.570H | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J437.489D | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J437.490H | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/254555 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q81985110 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 62177f29-363d-4de3-b32c-844342df7589 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| b373f325-81b1-4b0a-8b8d-fc4d77bd16c0 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 0665eaa7-2701-447c-b09e-2ed05cc92475 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 2eef49e2-f81a-4d87-b565-bbd68d9c4e6c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b6aaa314-f117-401c-b84c-a3ea8fcdd763 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| dd8c845b-8086-440a-9c09-529bafe61280 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 392630d9-1538-4998-a5f9-c07c27f4d737 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| bb5dc7f1-5037-42f0-9249-aeb120f167ee | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 4f4d65de-8501-433b-89d4-47fe95c750ad | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 37046603-f0ed-4c32-937c-f131c8425410 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d5951a0d-7233-4ada-a633-a4f0a6426318 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 81238bf6-523e-4f70-acc3-cc51864fc365 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 7090b115-4dda-4576-a7d9-0cedeb9d7703 | 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