Brightway Flows 1.0
GitHub

Ethyl Butyrate

fo-e7ab69711c0758ee

Identity

Type
Neutral molecule
CAS
105-54-4
EC
203-306-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Ethyl Butyrate

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OBNCKNCVKJNDBV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
IUPAC name chemrof:IUPAC_name Ethyl Butyrate
Molecular formula chemrof:molecular_formula C6H12O2
Molecular mass chemrof:molecular_mass 116.16
Monoisotopic mass chemrof:monoisotopic_mass 116.08373
SMILES string chemrof:smiles_string CCCC(=O)OCC

Known URLs

54

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
agr agr:IND20363758 enrich_references.chebi_xrefs
agr agr:IND21978680 enrich_references.chebi_xrefs
agr agr:IND44476186 enrich_references.chebi_xrefs
agr agr:IND500604094 enrich_references.chebi_xrefs
agr agr:IND601124441 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=105-54-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88764 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.007 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6040111 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB15454 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8857 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL44800 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/ethyl-butyrate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UFD2LZ005D enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0033889 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.235B enrich_references.pubchem_identifier_url
knapsack knapsack:C00050446 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07010874 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46261 enrich_references.pubchem_identifier_url
patent patent:US6153246 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7762 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1180 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/15432357 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16131132 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16506838 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19167006 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23305408 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24679778 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24844439 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26471403 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26715051 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27167034 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27440155 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27862955 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27989125 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27999263 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28036078 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28192158 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28285516 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28317768 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28363857 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28476120 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28740317 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28763947 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28784506 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28868973 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28928527 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28992408 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29019010 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/727513 enrich_references.chebi_xrefs
reaxys reaxys:506331 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1314356 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q412270 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ethyl_butyrate enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
f21411fd-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-9372-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3852f4c8-ea21-45f7-866e-14cbb774c98b Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-9371-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9373-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-9370-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
f21411fb-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 2
f21411fe-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 2
f2141200-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 2
f2141202-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
f21411ff-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 2
f21411fc-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 2
f2141201-6555-11dd-ad8b-0800200c9a66 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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