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

2,6,6-trimethyl-2-hydroxycyclohexanone
cyclohexanone, 2-hydroxy-2,6,6-trimethyl-

Sponsors

Name:2-hydroxy-2,6,6-trimethylcyclohexan-1-one
CAS Number: 7500-42-7Picture of molecule3D/inchi
FDA UNII:MH0UUM21K0
Nikkaji Web:J439.304J
XlogP3-AA:1.30 (est)
Molecular Weight:156.22492000
Formula:C9 H16 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:2054 2,6,6-trimethyl-2-hydroxycyclohexanone
FEMA Number:4531 2,6,6-trimethyl-2-hydroxycyclohexanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2,6,6-TRIMETHYL-2-HYDROXYCYCLOHEXANONE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.98800 to 0.99400 @ 20.00 °C.
Pounds per Gallon - (est).: 8.231 to 8.281
Refractive Index:1.46600 to 1.47200 @ 20.00 °C.
Boiling Point: 232.00 to 233.00 °C. @ 760.00 mm Hg
Boiling Point: 58.00 to 65.00 °C. @ 4.00 mm Hg
Vapor Pressure:0.011000 mm/Hg @ 25.00 °C. (est)
Flash Point: 202.00 °F. TCC ( 94.44 °C. )
logP (o/w): 0.924 (est)
Soluble in:
 alcohol
 water, 6304 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: tobacco
Odor Strength:medium
sweet tobacco herbal
Odor Description:at 100.00 %. sweet tobacco herbal
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Cyclohexanone, 2-hydroxy-2,6,6-trimethyl-
Parchem
2,6,6-trimethyl-2-hydroxycyclohexanone
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
Pictogram
 
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:
Category: flavor and fragrance agents
 
Structure Class: II
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 24
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.010000.10000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: 0.010000.10000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: 1.000005.00000
jams / jellies: --
meat products: --
milk products: 1.0000010.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :101115
National Institute of Allergy and Infectious Diseases:Data
2-hydroxy-2,6,6-trimethylcyclohexan-1-one
Chemidplus:0007500427
 
References:
 2-hydroxy-2,6,6-trimethylcyclohexan-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):101115
Pubchem (sid):135059892
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB37023
FooDB:FDB016003
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:2,6,6-Trimethyl-2-hydroxycyclohexanone
 
Potential Blenders and core components note
For Odor
balsamic
iso
bornyl acetate
FL/FR
iso
bornyl phenyl acetate
FL/FR
fenchyl acetate
FL/FR
citrus
beta-
bisabolol
FL/FR
2-
heptanol
FL/FR
verbena absolute france
FL/FR
earthy
(Z)-4-
octen-1-ol
FL/FR
floral
ilex paraguariensis oleoresin
FL/FR
lavender oil
FL/FR
para-
methyl benzyl acetate
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
rose undecene
FR
fungal
hydroxymethyl hexyl ethyl ketone
FL/FR
hay
woodruff absolute
FR
herbal
arnica flower oil
FR
matricaria chamomilla flower oil
FL/FR
tea leaf absolute
FL/FR
gamma-
valerolactone
FL/FR
spicy
caraway seed oleoresin
FL/FR
gingergrass oil
FR
tonka
deertongue absolute
FR
gamma-
hexalactone
FL/FR
woody
woody cyclohexanone
FR
For Flavor
No flavor group found for these
iso
bornyl phenyl acetate
FL/FR
capsicum oleoresin CO2 extract
FL
fig leaf absolute
FL
hydroxymethyl hexyl ethyl ketone
FL/FR
ilex paraguariensis oleoresin
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
(Z)-4-
octen-1-ol
FL/FR
acidic
acidic
(E)-2-
hexenoic acid
FL
citrus
beta-
bisabolol
FL/FR
verbena absolute france
FL/FR
creamy
gamma-
hexalactone
FL/FR
fruity
2-
heptanol
FL/FR
para-
methyl benzyl acetate
FL/FR
herbal
lavender oil
FL/FR
matricaria chamomilla flower oil
FL/FR
spicy
caraway seed oleoresin
FL/FR
tea
tea leaf absolute
FL/FR
tonka
gamma-
valerolactone
FL/FR
woody
iso
bornyl acetate
FL/FR
fenchyl acetate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 endive
Search Trop Picture
 tea black tea
Search Trop Picture
 tea green tea
Search Trop Picture
 tea oolong tea
Search Picture
 
Synonyms:
 cyclohexanone, 2-hydroxy-2,6,6-trimethyl-
2-hydroxy-2,6,6-trimethyl cyclohexan-1-one
2-hydroxy-2,6,6-trimethyl cyclohexanone
2-hydroxy-2,6,6-trimethylcyclohexan-1-one
2-hydroxy-2,6,6-trimethylcyclohexanone
 

Articles:

 None found yet.
 
Notes:
Constit. of the aroma of black tea
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy