2,4,4,7-tetramethyl-6-octen-3-one

6-Octen-3-one, 2,4,4,7-tetramethyl-
Claritone

Property	Value
InChI2D key string chemrof:inchi2d_key_string	CTLDWNVYXLHMAS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C12H22O/c1-9(2)7-8-12(5,6)11(13)10(3)4/h7,10H,8H2,1-6H3
IUPAC name chemrof:IUPAC_name	2,4,4,7-tetramethyl-6-octen-3-one
Molecular formula chemrof:molecular_formula	C12H22O
Molecular mass chemrof:molecular_mass	182.307
Monoisotopic mass chemrof:monoisotopic_mass	182.167065
SMILES string chemrof:smiles_string	CC(C)=CCC(C)(C)C(=O)C(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=74338-72-0	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.102.109	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.213.561	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9072789	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.977.540B	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/9815427	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q82001015	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
f25176d5-46d0-4c2f-9aac-92b1bf6c0223	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
bfd34cfa-f552-4ebe-9e61-93f5ae22d34b	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
b010caf4-9b52-4c31-8c69-9eaad2a6b7a7	Environmental → Air → Indoor	EF 3.1	kg	4
2f59abc4-8a30-41d2-b952-c8ed50e4ced7	Environmental → Air → Long-term	EF 3.1	kg	0
b064bdef-06de-495e-bdd0-0c231a7061d1	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
c82d223b-75fb-4872-8c5d-3021a941b868	Environmental → Air → Unknown	EF 3.1	kg	4
62a99ade-81b9-4c95-b917-b78a58fab364	Environmental → Ground → Agricultural	EF 3.1	kg	4
63ba1185-4c6b-4822-9bb0-3d05df51f757	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
3dac572e-d96c-4511-8c0c-1c6add3698aa	Environmental → Ground → Unknown	EF 3.1	kg	4
8c7d67a6-42f9-4db4-a5d1-1d9991177840	Environmental → Water → Long-term	EF 3.1	kg	0
8321d880-ba20-48f1-88b9-9322c93a4333	Environmental → Water → Ocean	EF 3.1	kg	4
79a8accd-e3e6-4cfb-997e-ea24717abcb1	Environmental → Water → Surface water	EF 3.1	kg	4
63250610-1bd5-4dee-a3c1-fc7be898cda0	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

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}

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2,4,4,7-tetramethyl-6-octen-3-one

Identity

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Alternative labels

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