Consensus flow list

Identity

Type
Neutral molecule
CAS
109-60-4
EC
203-686-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Propyl acetate

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YKYONYBAUNKHLG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name Propyl acetate
Molecular formula chemrof:molecular_formula C5H10O2
Molecular mass chemrof:molecular_mass 102.133
Monoisotopic mass chemrof:monoisotopic_mass 102.06808
SMILES string chemrof:smiles_string CCCOC(C)=O

Known URLs

25

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=109-60-4 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/AJ381378.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:40116 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.352 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0940 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6021901 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01670 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB01670 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=72025 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL44857 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/propyl-acetate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4AWM8C91G6 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0034237 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2915.39.45.10 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.877K enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46439 enrich_references.pubchem_identifier_url
patent patent:WO2011071131 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:4PA enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL44857 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7997 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1276 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/21535646 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22821412 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q415750 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Propyl_acetate enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
f214ae42-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 5
fe0acd60-3ddc-11dd-a721-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 5
ec085cda-5679-4d6f-8386-a029b586f98b Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a720-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 1
fe0acd60-3ddc-11dd-a722-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 5
fe0acd60-3ddc-11dd-a71f-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 5
f214ae40-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 4
f214d520-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 4
f214d522-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 4
f214d524-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
f214d521-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 4
f214ae41-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 4
f214d523-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
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