3,3,5-trimethylcyclohexanone

(±)-3,3,5-Trimethylcyclohexanone
(±)-Dihydroisophorone
3,3,5-Trimethyl-1-cyclohexanone
Cyclohexanone, 3,3,5-trimethyl-
Dihydroisophorone

Property	Value
InChI2D key string chemrof:inchi2d_key_string	POSWICCRDBKBMH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3
IUPAC name chemrof:IUPAC_name	3,3,5-trimethylcyclohexanone
Molecular formula chemrof:molecular_formula	C9H16O
Molecular mass chemrof:molecular_mass	140.226
Monoisotopic mass chemrof:monoisotopic_mass	140.120115
SMILES string chemrof:smiles_string	CC1CC(=O)CC(C)(C)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=873-94-9	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.011.687	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5044996	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186483	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QXG9U7N202	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J68.885A	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/13398	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27287551	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
d215b32b-2464-4957-bb83-f57fbb974bd3	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
87a62f55-3474-4d50-aa37-5a7f664894b9	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
d84e9af3-0d92-4123-8d9c-a37d4990660f	Environmental → Air → Indoor	EF 3.1	kg	2
9ad50477-ad28-41e8-83a6-2f70d6a01720	Environmental → Air → Long-term	EF 3.1	kg	0
5705680b-ca37-4d2c-920f-29e377b9345f	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
38231f8b-5fcd-49a2-b1fe-7a82475a91e2	Environmental → Air → Unknown	EF 3.1	kg	2
e7b064de-dcc8-4d69-9ea5-ebef58b6e762	Environmental → Ground → Agricultural	EF 3.1	kg	2
7a80c55b-b92c-4815-b9b8-fa198bd20e34	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
a1570970-925f-41fd-a729-9999fbda4ee8	Environmental → Ground → Unknown	EF 3.1	kg	2
63494248-21e7-4851-9c2c-779cd98cfeef	Environmental → Water → Long-term	EF 3.1	kg	0
5d48af86-ff8b-4e09-b5cc-8e2f2c82db7b	Environmental → Water → Ocean	EF 3.1	kg	2
dbb1d50d-c49b-4a5c-bda2-4f4f190d0c51	Environmental → Water → Surface water	EF 3.1	kg	2
fa787417-a06d-490e-b26e-df259d4b95a7	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

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3,3,5-trimethylcyclohexanone

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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