Consensus flow list

Identity

Type
Neutral molecule
CAS
763-69-9
EC
212-112-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Ethyl 3-ethoxypropionate

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BHXIWUJLHYHGSJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3
IUPAC name chemrof:IUPAC_name Ethyl 3-ethoxypropionate
Molecular formula chemrof:molecular_formula C7H14O3
Molecular mass chemrof:molecular_mass 146.186
Monoisotopic mass chemrof:monoisotopic_mass 146.094294
SMILES string chemrof:smiles_string CCOCCC(=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=763-69-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.011 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0027309 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8870 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3561286 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EC38RSJ79J enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J25.585H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12989 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1993 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q22829038 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f3edd10e-a35f-46fe-b99a-37ba9250e12b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
98737ede-554a-418d-8ae2-bf394a8aec9e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
5981ad55-9f8d-4919-af38-ade5a3f3d138 Environmental → Air → Indoor EF 3.1 kg 4
13bb2925-80b6-4f95-b2b6-3866d65d0b74 Environmental → Air → Long-term EF 3.1 kg 0
8fe85506-4989-4008-8840-4b79cde7364d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
6380d981-7813-4b96-9a45-7c512a02fa37 Environmental → Air → Unknown EF 3.1 kg 4
f54279cd-a691-47a6-a0d9-bc95eada3cc5 Environmental → Ground → Agricultural EF 3.1 kg 4
482f2742-ea45-4622-8656-1816782bc00f Environmental → Ground → Non-agricultural EF 3.1 kg 4
2fec61ef-08dd-4468-b712-6800d727499c Environmental → Ground → Unknown EF 3.1 kg 4
ff365a1d-1720-4521-85b3-7e6047de5e7c Environmental → Water → Long-term EF 3.1 kg 0
a6633fe9-74fa-4b12-98db-b3bb5cff6801 Environmental → Water → Ocean EF 3.1 kg 4
641e4201-95e6-4c70-ac5f-8d29bae61c71 Environmental → Water → Surface water EF 3.1 kg 4
c6de3f8c-66b5-4c00-90b4-7d35339f36ee Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
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    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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