Consensus flow list

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

Structure diagram for Diethyl Tartrate

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

25

Properties

PropertyValue
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

10

Where 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)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a98acd0a904ad59e",
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    {
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    }
  ],
  "altLabel": [
    {
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    {
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    },
    {
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    },
    {
      "@value": "(R,R)-Diethyl tartrate",
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    },
    {
      "@value": "(R,R)-Tartaric acid diethyl ester",
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    },
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      "@value": "Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-diethyl ester",
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    },
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      "@value": "Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, diethyl ester",
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    },
    {
      "@value": "Butanedioic acid, 2,3-dihydroxy-[R-(R*,R*)]-, diethyl ester",
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      }
    },
    {
      "@value": "Diethyl (+)-tartrate",
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        ],
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      }
    },
    {
      "@value": "Diethyl (2R,3R)-(+)-tartrate",
      "@language": "en",
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    },
    {
      "@value": "Diethyl (2R,3R)-2,3-dihydroxysuccinate",
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      }
    },
    {
      "@value": "Diethyl (2R,3R)-tartrate",
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        ],
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      }
    },
    {
      "@value": "Diethyl (R,R)-(+)-tartrate",
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    },
    {
      "@value": "Diethyl (R,R)-tartrate",
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    },
    {
      "@value": "Diethyl 1,2-dihydroxy-1,2-ethanedicarboxylate",
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      }
    },
    {
      "@value": "Diethyl L-(+)-tartrate",
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        ],
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      }
    },
    {
      "@value": "Diethyl L-tartarate",
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      }
    },
    {
      "@value": "Diethyl L-tartrate",
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    },
    {
      "@value": "Diethyl tartarate",
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      }
    },
    {
      "@value": "Ethyl (+)-tartrate",
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      }
    },
    {
      "@value": "Ethyl tartrate",
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      }
    },
    {
      "@value": "L-(+)-Tartaric acid diethyl ester",
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        ],
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      }
    },
    {
      "@value": "L-Diethyl tartrate",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "L-Tartaric acid diethyl ester",
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      }
    },
    {
      "@value": "Tartaric acid, diethyl ester",
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  ],
  "properties": {
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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