Cyclohexane-1,3-dione

1,3-Benzenediol, dihydro-
1,3-Cyclohexanedione
1,3-Dioxocyclohexane
Dihydroresorcinol
Hydroresorcinol
Resorcinol, dihydro-

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	HJSLFCCWAKVHIW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
IUPAC name chemrof:IUPAC_name	cyclohexane-1,3-dione, cyclohexane-1,3-quinone
Molecular formula chemrof:molecular_formula	C6H8O2
Molecular mass chemrof:molecular_mass	112.128
Monoisotopic mass chemrof:monoisotopic_mass	112.052429, 112.05243
SMILES string chemrof:smiles_string	O=C1CCCC(=O)C1

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=504-02-9	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17766	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.007.255	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID1044433	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=57477	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL363919	enrich_references.pubchem_identifier_url
gmelin	gmelin:200899	enrich_references.chebi_xrefs
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6UK3D2BXJT	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0244161	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.214F	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C01066	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C01066	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49846	enrich_references.pubchem_identifier_url
MetaCyc	https://metacyc.org/compound?orgid=META&id=CYCLOHEXANE-13-DIONE	enrich_references.chebi_xrefs
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/10434	enrich_references.pubchem_compound
PubMed	https://pubmed.ncbi.nlm.nih.gov/18863814	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/5654929	enrich_references.chebi_xrefs
reaxys	reaxys:385888	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q15401966	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/1,3-Cyclohexanedione	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
cbc42b4f-db35-49b3-92fc-28163c24317c	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
a2f583fb-a92e-4644-beda-c1964897cfc1	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
b77f9f07-99eb-4124-8583-d72f07aa291e	Environmental → Air → Indoor	EF 3.1	kg	2
60e7ec19-5ea3-4808-99ef-2ffe325a8b5e	Environmental → Air → Long-term	EF 3.1	kg	0
50987e50-198e-4e79-88c3-960ad9b19f9b	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
1db8a0a7-f82a-4690-b84c-e38eea2a8a71	Environmental → Air → Unknown	EF 3.1	kg	2
9b8a3529-99ed-435d-8f6f-3cc2ebcece6c	Environmental → Ground → Agricultural	EF 3.1	kg	2
46debdc4-b1ae-4352-a59d-97f7078c4d24	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
02b265dc-2296-44ee-8bd9-89709135ea85	Environmental → Ground → Unknown	EF 3.1	kg	2
96ac368a-4ca2-4870-b994-750f25633361	Environmental → Water → Long-term	EF 3.1	kg	0
fb2d1e8c-e39b-45e9-ab46-898fefda6806	Environmental → Water → Ocean	EF 3.1	kg	2
8e85829b-895d-4e4b-8e3d-6e6e8f1b02e1	Environmental → Water → Surface water	EF 3.1	kg	2
c74b9b62-5ae6-4c69-baf9-f9ebab79de80	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Cyclohexane-1,3-dione

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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