2,6-dimethylphenoxyacetone

(2,6-Dimethylphenoxy)-2-propanone
1-(2,6-Dimethylphenoxy)-2-propanone
1-(2,6-Dimethylphenoxy)acetone
2-Propanone, 1-(2,6-dimethylphenoxy)-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	XDJULAUHYAJQBU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C11H14O2/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6H,7H2,1-3H3
IUPAC name chemrof:IUPAC_name	2,6-dimethylphenoxyacetone
Molecular formula chemrof:molecular_formula	C11H14O2
Molecular mass chemrof:molecular_mass	178.231
Monoisotopic mass chemrof:monoisotopic_mass	178.09938
SMILES string chemrof:smiles_string	CC(=O)COc1c(C)cccc1C

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=53012-41-2	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.052.976	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID70201062	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LD49G7R3ME	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J295.856B	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/104378	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q72471188	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
26ffc9d7-efb7-4337-acfe-d82bfed98e1f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
8390b115-c905-48de-a3e1-4384322860ab	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
75ce35d6-12fa-4f9d-84e1-60e6481ce2f3	Environmental → Air → Indoor	EF 3.1	kg	2
b91a4480-61fc-4211-a9ea-3ee85aad66ce	Environmental → Air → Long-term	EF 3.1	kg	0
7a54c0ee-6cea-40a1-8047-71795964bab8	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
9f28408f-ecf9-4bc6-9e17-5dd795d422c0	Environmental → Air → Unknown	EF 3.1	kg	2
08cc9ec5-8c70-4a97-a3a3-40155604f78c	Environmental → Ground → Agricultural	EF 3.1	kg	2
80df9545-6011-4bfd-93b9-d7e4e3561b83	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
3d5dea08-0ba4-4bc3-9eea-73d38cd73b8b	Environmental → Ground → Unknown	EF 3.1	kg	2
d3f5cff5-6ef3-4d39-be55-32a4abb393ba	Environmental → Water → Long-term	EF 3.1	kg	0
8cae8657-7a48-4590-80e7-51f47e24799d	Environmental → Water → Ocean	EF 3.1	kg	2
f6478530-f658-42c2-b6e9-68cf41322b40	Environmental → Water → Surface water	EF 3.1	kg	2
875ee771-e666-4dfc-a831-540a84c97fa2	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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2,6-dimethylphenoxyacetone

Identity

Structure

Alternative labels

Properties

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