Consensus flow list

Identity

Type
Neutral molecule
CAS
123-66-0
EC
204-640-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Ethyl Hexanoate

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SHZIWNPUGXLXDT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
IUPAC name chemrof:IUPAC_name Ethyl Hexanoate
Molecular formula chemrof:molecular_formula C8H16O2
Molecular mass chemrof:molecular_mass 144.214
Monoisotopic mass chemrof:monoisotopic_mass 144.11503
SMILES string chemrof:smiles_string CCCCCC(=O)OCC

Known URLs

15

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=123-66-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:86055 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.220 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3021980 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8882 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/ethyl-hexanoate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FLO6YR1SHT enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0040209 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.500C enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07010434 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=4079 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31265 enrich_references.pubchem_compound
reaxys reaxys:1701293 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q905406 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ethyl_hexanoate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9af92b42-7cd8-4caf-a5d9-446a0997c70f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2748ea7d-9ae5-44ae-a385-dfdec727dc8c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d0e6d16c-d36c-4e84-90e5-c270ebef42ff Environmental → Air → Indoor EF 3.1 kg 2
368e638b-9c76-447a-980c-66adc31bff36 Environmental → Air → Long-term EF 3.1 kg 0
6e364aee-3113-4640-85ed-f3ac6a52f6ca Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1c22260b-706b-4391-8e46-b4be089515f6 Environmental → Air → Unknown EF 3.1 kg 2
28f21d3b-1dba-4bf7-a44f-ceb4df554713 Environmental → Ground → Agricultural EF 3.1 kg 2
ce4e7550-0a35-4759-936f-694013be337a Environmental → Ground → Non-agricultural EF 3.1 kg 2
fbf68e36-3025-4b18-b919-cf9c5f1088ff Environmental → Ground → Unknown EF 3.1 kg 2
df135cdf-8226-4a0c-a6d0-b30a668fa75e Environmental → Water → Long-term EF 3.1 kg 0
ad350a16-1418-48ea-b05f-28f23498390c Environmental → Water → Ocean EF 3.1 kg 2
b52ffd47-65f3-4b86-8ef3-9d3df0f58f32 Environmental → Water → Surface water EF 3.1 kg 2
c3926bfe-48a7-4e1a-a81b-69ab198ce731 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
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  ],
  "@type": [
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}

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