Diethyl Tartrate
fo-a98acd0a904ad59e
Identity
- Type
- Neutral molecule
- CAS
- 87-91-2
- EC
- 201-783-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
25- (+)-(R,R)-Diethyl tartrate
- (+)-Diethyl L-tartarate
- (+)-Diethyl L-tartrate
- (R,R)-Diethyl tartrate
- (R,R)-Tartaric acid diethyl ester
- Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-diethyl ester
- Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, diethyl ester
- Butanedioic acid, 2,3-dihydroxy-[R-(R*,R*)]-, diethyl ester
- Diethyl (+)-tartrate
- Diethyl (2R,3R)-(+)-tartrate
- Diethyl (2R,3R)-2,3-dihydroxysuccinate
- Diethyl (2R,3R)-tartrate
- Diethyl (R,R)-(+)-tartrate
- Diethyl (R,R)-tartrate
- Diethyl 1,2-dihydroxy-1,2-ethanedicarboxylate
- Diethyl L-(+)-tartrate
- Diethyl L-tartarate
- Diethyl L-tartrate
- Diethyl tartarate
- Ethyl (+)-tartrate
- Ethyl tartrate
- L-(+)-Tartaric acid diethyl ester
- L-Diethyl tartrate
- L-Tartaric acid diethyl ester
- Tartaric acid, diethyl ester
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | YSAVZVORKRDODB-PHDIDXHHSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-/m1/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | CCOC(=O)[C@H](O)[C@@H](O)C(=O)OCC |
| IUPAC name chemrof:IUPAC_name | (+)-(R,R)-Diethyl tartrate |
| Molecular formula chemrof:molecular_formula | C8H14O6 |
| Molecular mass chemrof:molecular_mass | 206.194 |
| Monoisotopic mass chemrof:monoisotopic_mass | 206.079038 |
| SMILES string chemrof:smiles_string | CCOC(=O)C(O)C(O)C(=O)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=87-91-2 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.622 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5052597 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/diethyl-tartrate | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OQ72CPY58Z | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.319J | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46117 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6993580 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q55078681 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Diethyl_tartrate | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 97f778d7-c071-4c1b-a9b8-59015fc5ce97 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| dbc0040b-2200-4a86-8744-1792f0822314 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 1cb7c4e8-3615-45e9-9852-82e1d1dadf92 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 4ab3fe50-1388-4d69-93ee-18cb396564cb | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 68d33d0d-6646-4ebb-97ab-d8f54dc0c904 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| b68af519-04f9-408b-8359-5b92086e501d | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 27257666-d694-4667-9cc8-4677fcf9b3a3 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| cc863098-6d98-4c7c-bc7b-4333106cb984 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| e3a0b725-efb4-4bdd-a871-bb477bf7bd8f | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 10f81e63-a3cc-403d-b864-74b7b642e4d9 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 89895bf3-0617-436c-a0f2-68942d958a00 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| b400f69a-255e-47ef-966e-cf59d2cc2d3b | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 70350bfe-0e61-40bc-9d1c-b952aec41286 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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