4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one

3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one

Property	Value
InChI2D key string chemrof:inchi2d_key_string	PSQYTAPXSHCGMF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3
IUPAC name chemrof:IUPAC_name	4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one
Molecular formula chemrof:molecular_formula	C13H20O
Molecular mass chemrof:molecular_mass	192.302
Monoisotopic mass chemrof:monoisotopic_mass	192.151415
SMILES string chemrof:smiles_string	CC(=O)C=CC1=C(C)CCCC1(C)C

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=14901-07-6	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.035.412	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9025451	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184146	enrich_references.pubchem_identifier_url
femaflavor.org	https://www.femaflavor.org/flavor-library/beta-ionone	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0249136	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130624	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/26955	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27190018	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
afbca3e3-8ad2-4642-9384-5910b0e2461c	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
c21658db-4f61-4644-bea5-f7483284443c	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
85e51cd9-c12c-4e92-b106-315b3bcc1c41	Environmental → Air → Indoor	EF 3.1	kg	2
f794f605-52c7-4d31-9ba4-1a6ffe8e5ea9	Environmental → Air → Long-term	EF 3.1	kg	0
231657d0-7c10-4497-b642-d76780003042	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
8d99a095-63d1-46f7-b32f-8c4f6dbbdc84	Environmental → Air → Unknown	EF 3.1	kg	2
de26df1e-c56f-4074-b9de-372bda76ec23	Environmental → Ground → Agricultural	EF 3.1	kg	2
d32d4b47-e663-43ce-a0c1-7f26b9c1b815	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
08f07b93-88d0-4d1f-94d3-ed38c1e3d11f	Environmental → Ground → Unknown	EF 3.1	kg	2
418434e3-bfb2-457d-b407-4e97c9775760	Environmental → Water → Long-term	EF 3.1	kg	0
e6a532a6-60d6-4792-bd1f-36d5866f43f4	Environmental → Water → Ocean	EF 3.1	kg	2
217a7264-4369-4bdb-a027-f638eea94a2e	Environmental → Water → Surface water	EF 3.1	kg	2
d58b9bad-c315-4088-aa1a-f4186e9dd577	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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}

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4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one

Identity

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