Consensus flow list

Diethyl Adipate

fo-f9720438d71fc613

Identity

Type
Neutral molecule
CAS
141-28-6
EC
205-477-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Diethyl Adipate

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VIZORQUEIQEFRT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3
IUPAC name chemrof:IUPAC_name Diethyl Adipate
Molecular formula chemrof:molecular_formula C10H18O4
Molecular mass chemrof:molecular_mass 202.25
Monoisotopic mass chemrof:monoisotopic_mass 202.120509, 202.12051
SMILES string chemrof:smiles_string CCOC(=O)CCCCC(=O)OCC

Known URLs

13

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=141-28-6 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=68201-71-8 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34697 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.980 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2021999 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=19160 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3363 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7B19K45L6C enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.805J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14566 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14566 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8844 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27116229 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d0f5ed68-dc79-4f57-9e26-0536d27ea1a0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7a38e602-3f95-4410-b57d-164bf64f4601 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3485c8c2-4a09-4450-a79a-4e3ed7fa6097 Environmental → Air → Indoor EF 3.1 kg 2
dd19ad27-5a10-4319-81c3-5d2b2aade495 Environmental → Air → Long-term EF 3.1 kg 0
7bf9b0ce-5000-4cff-99ac-5b1cc9af52b1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
74bdc304-1ffe-4320-aa08-601b734caa5a Environmental → Air → Unknown EF 3.1 kg 2
f540197a-eb22-4213-887f-59e9c665d9cc Environmental → Ground → Agricultural EF 3.1 kg 2
8a060648-f7f9-4c5e-b323-6625d3692565 Environmental → Ground → Non-agricultural EF 3.1 kg 2
726e3a77-a5c1-4c0b-a7f6-6d4de1b4dfe2 Environmental → Ground → Unknown EF 3.1 kg 2
357eac2d-a0fd-42cd-956e-8b7d61ff6051 Environmental → Water → Long-term EF 3.1 kg 0
8bef8520-79fb-4181-8155-d7a0b19b4de1 Environmental → Water → Ocean EF 3.1 kg 2
0c5affa2-d565-4aba-9c7c-2bb5abeb4827 Environmental → Water → Surface water EF 3.1 kg 2
f1d61b8a-2716-4e10-af8d-44520943ac42 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 
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      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "141-28-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=141-28-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=141-28-6"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "205-477-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=205-477-0"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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