Consensus flow list

3-acetyldihydrofuran-2(3h)-one

fo-af3674fea9b3b2ec

Identity

Type
NeutralMolecule
CAS
517-23-7
EC
208-235-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-acetyldihydrofuran-2(3h)-one

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OMQHDIHZSDEIFH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8O3/c1-4(7)5-2-3-9-6(5)8/h5H,2-3H2,1H3
IUPAC name chemrof:IUPAC_name 3-acetyldihydrofuran-2(3h)-one
Molecular formula chemrof:molecular_formula C6H8O3
Molecular mass chemrof:molecular_mass 128.127
Monoisotopic mass chemrof:monoisotopic_mass 128.04734, 128.047344
SMILES string chemrof:smiles_string CC(=O)C1CCOC1=O

Known URLs

16

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=517-23-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:179633 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.488 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.10156.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6044436 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2019 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187921 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I3D73T5K0Q enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.575G enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA07040005 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07040005 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=4339 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10601 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017684 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q10863668 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2-Acetylbutyrolactone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2d9768e7-6f7c-4485-949e-61f8db9e4b21 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0005ce1c-0f40-4bda-870c-5a1ab42d1932 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c00f6dea-a455-4a85-b911-fe7bf0046b97 Environmental → Air → Indoor EF 3.1 kg 2
4f5a72a1-553b-4ef9-a902-c8a550cb94ed Environmental → Air → Long-term EF 3.1 kg 0
8cc9dc56-1c1e-46f0-a024-6e89eed42f5b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fb0ce455-b6af-4b21-bbbe-b25adfd91c84 Environmental → Air → Unknown EF 3.1 kg 2
600d268f-cc74-48ac-abba-4eebae28ebcc Environmental → Ground → Agricultural EF 3.1 kg 2
a0d8a582-6a36-420d-8a83-7f69b79f8f36 Environmental → Ground → Non-agricultural EF 3.1 kg 2
8bdd7b5b-29fa-42e2-93f8-73b8491451e3 Environmental → Ground → Unknown EF 3.1 kg 2
34d9f61b-f115-407a-825f-48801912aafc Environmental → Water → Long-term EF 3.1 kg 0
2fd4a196-9e2a-4e46-a7f0-f82ca7f486db Environmental → Water → Ocean EF 3.1 kg 2
4c6520bd-5d49-4ce8-8260-b0baae0a608b Environmental → Water → Surface water EF 3.1 kg 2
45ebab67-daa6-4590-a8f1-46b6625ba632 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-af3674fea9b3b2ec",
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  "altLabel": [
    {
      "@value": "2(3H)-Furanone, 3-acetyldihydro-",
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