EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes

2,2,6-trimethyl cyclohexane-1,4-dione
1,4-cyclohexanedione, 2,2,6-Trimethyl-

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CAS Number: 20547-99-3Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J129.229C
XlogP3-AA:0.90 (est)
Molecular Weight:154.20898000
Formula:C9 H14 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Soluble in:
 water, 3.547e+004 mg/L @ 25 °C (est)
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
Penta International
Safety Information:
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Safety in Use Information:
natural substances and extractives
Recommendation for 2,2,6-trimethyl cyclohexane-1,4-dione usage levels up to:
 not for fragrance use.
Recommendation for 2,2,6-trimethyl cyclohexane-1,4-dione flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :30181
National Institute of Allergy and Infectious Diseases:Data
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):30181
Pubchem (sid):134995796
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 butterfly bush
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 jacquinia macrocarpa
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 michelia champaca concrete @ 0.01%
Data GC Search Trop Picture
 nicotiana bonariensis
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1,4-cyclohexanedione, 2,2,6-Trimethyl-
2,2,6-trimethyl cyclohexan-1,4-dione
2,2,6-trimethyl-1,4-cyclohexane dione


Google Patents:Process for the production of 2,2,6-trimethylcyclohexane-1,4-dione
PubMed:Swarming mechanisms in the yellow fever mosquito: aggregation pheromones are involved in the mating behavior of Aedes aegypti.
PubMed:A variety of volatile compounds as markers in unifloral honey from dalmatian sage (Salvia officinalis L.).
PubMed:Cloning and overexpression of the old yellow enzyme gene of Candida macedoniensis, and its application to the production of a chiral compound.
PubMed:Old Yellow Enzyme from Candida macedoniensis catalyzes the stereospecific reduction of the C=C bond of ketoisophorone.
None found
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