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3-acetyl-6-methyl-2h-pyran-2,4(3h)-dione

fo-e590e7419af93f75

Identity

Type
Neutral molecule
CAS
520-45-6
EC
208-293-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 3-acetyl-6-methyl-2h-pyran-2,4(3h)-dione

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
fungicide CHEBI:24127 A substance used to destroy fungal pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PGRHXDWITVMQBC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3
IUPAC name chemrof:IUPAC_name 3-acetyl-6-methyl-2h-pyran-2,4(3h)-dione
Molecular formula chemrof:molecular_formula C8H8O4
Molecular mass chemrof:molecular_mass 168.148
Monoisotopic mass chemrof:monoisotopic_mass 168.042259, 168.04226
SMILES string chemrof:smiles_string CC(=O)C1C(=O)C=C(C)OC1=O

Known URLs

23

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:IND87014549 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=520-45-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:137426 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.541 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6020014 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=760135 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8770 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL284127 enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G82156FZ enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0250943 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.151I enrich_references.pubchem_identifier_url
patent patent:AU2004287448 enrich_references.chebi_xrefs
patent patent:US3849579 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/122903 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018185 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/18960990 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23790920 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25813167 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28166217 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/4030634 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6885696 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q63088091 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dehydroacetic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
c6d67685-0fcc-477d-b806-0aca584e55bd Environmental → Air → Aircraft cruise height EF 3.1 kg 0
83e3c036-33f7-4981-811b-ef389c3acd7d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
09de8b1a-8f94-404f-a728-01e047c676fa Environmental → Air → Indoor EF 3.1 kg 0
41371c7d-052b-4ade-b168-084b33f14d40 Environmental → Air → Long-term EF 3.1 kg 0
c28490a4-d0e8-445a-b1ba-97f6ccced5e3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
ec757324-568e-4364-851a-c808151f9dfb Environmental → Air → Unknown EF 3.1 kg 0
6ff69668-a847-40c5-8ec4-73ab906bcd93 Environmental → Ground → Agricultural EF 3.1 kg 0
50834718-0e49-4f2b-9236-0825b06e5665 Environmental → Ground → Non-agricultural EF 3.1 kg 0
ec9061b0-4ea4-40db-9abf-97289e9d9284 Environmental → Ground → Unknown EF 3.1 kg 0
2a6ee4c8-2df6-49d6-988a-29c3742bd120 Environmental → Water → Long-term EF 3.1 kg 0
cc5e3b3b-40d7-42de-bea9-f58195c611e4 Environmental → Water → Ocean EF 3.1 kg 0
66346b54-7f6f-437e-8989-4697857cd81d Environmental → Water → Surface water EF 3.1 kg 0
cff0b998-ab37-4e55-b627-d9424011e8ee Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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