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

3-methyl cyclohexanone
3-methylcyclohexanone

Supplier Sponsors

Name:3-methylcyclohexan-1-one
CAS Number: 591-24-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-710-7
FDA UNII:255L4HTY2B
Nikkaji Web:J1.214I
Beilstein Number:0969804
MDL:MFCD00001639
XlogP3-AA:1.40 (est)
Molecular Weight:112.17184000
Formula:C7 H12 O
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Racemate.
Category:flavoring 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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:1103 3-methylcyclohexanone
FLAVIS Number:07.180 (Old)
DG SANTE Food Flavourings:07.180 3-methylcyclohexanone
FEMA Number:3947 3-methylcyclohexanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):591-24-2 ; 3-METHYLCYCLOHEXANONE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.91400 to 0.91900 @ 25.00 °C.
Pounds per Gallon - (est).: 7.605 to 7.647
Refractive Index:1.44000 to 1.45000 @ 20.00 °C.
Boiling Point: 169.00 to 170.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.575000 mmHg @ 25.00 °C. (est)
Flash Point: 125.00 °F. TCC ( 51.67 °C. )
logP (o/w): 1.356 (est)
Soluble in:
 alcohol
 paraffin oil
 water, 1500 mg/L @ 20 °C (exp)
Insoluble in:
 water
 mineral oil
 
Organoleptic Properties:
Odor Type: camphoreous
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
minty camphoreous medicinal
Odor Description:at 10.00 % in dipropylene glycol. minty camphor medicinal
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-Methylcyclohexanone
EMD Millipore
For experimental / research use only.
3-Methylcyclohexanone
Parchem
3-methyl cyclohexanone
Penta International
3-METHYLCYCLOHEXANONE
Santa Cruz Biotechnology
For experimental / research use only.
3-Methylcyclohexanone
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Methylcyclohexanone 97%
TCI AMERICA
For experimental / research use only.
3-Methylcyclohexanone >97.0%(GC)
 
Safety Information:
Preferred SDS: View
 
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:
intravenous-dog LDLo 310 mg/kg
VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION CARDIAC: CHANGE IN RATE
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 236, Pg. 633, 1953.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 3-methyl cyclohexanone usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (μg/capita/day)
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: 19
 average usual ppmaverage maximum ppm
baked goods: 10.0000025.00000
beverages(nonalcoholic): 5.0000010.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 50.00000100.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 5.0000010.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 25.0000050.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 51, (FGE.51)[1] - Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) and structurally related to alicyclic ketones, secondary alcohols and related esters evaluated by EFSA in FGE.09 (2004) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 9, Revision 1: (FGE.09 Rev1)[1] - Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical groups 8 and 30, and an ester of a phenol carboxylic acid from chemical group 25 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 9, Revision 2 (FGE.09Rev2): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 51, Revision 1 (FGE.51Rev1): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by the JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev3 (2011)
View page or View pdf

Flavouring Group Evaluation 51, Revision 2 (FGE.51Rev2): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev6 (2015)
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):591-24-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11567
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2297
WGK Germany:1
3-methylcyclohexan-1-one
Chemidplus:0000591242
RTECS:GW1750100 for cas# 591-24-2
 
References:
 3-methylcyclohexan-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:591-24-2
Pubchem (cid):11567
Pubchem (sid):134977264
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
FooDB:FDB011770
Export Tariff Code:2914.22.2000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
fenchone
FL/FR
yarrow oil greece
FL/FR
yarrow oil hungary
FL/FR
laurel leaf absolute
FL/FR
2-
methyl-3-butanone
FL/FR
yarrow oil
FL/FR
alcoholic
alcoholic
3-
hexanol
FL/FR
balsamic
dextro,laevo-
borneol
FL/FR
laevo-
borneol
FL/FR
dextro,laevo-iso
borneol
FL/FR
dextro-
borneol
FL/FR
iso
bornyl acetate
FL/FR
iso
bornyl formate
FL/FR
iso
bornyl methyl ether
FL/FR
iso
bornyl propionate
FL/FR
dextro-
fenchone
FL/FR
camphoreous
3-
benzylidene-2-butanone
FL/FR
bornyl isobutyrate
FL/FR
butyrophenone
FL/FR
alpha-
campholenic alcohol
FL/FR
(±)-
camphor
FL/FR
dextro-
camphor
FL/FR
camphor tree bark oil
FL/FR
beta-homo
cyclocitral
FL/FR
fenchol
FL/FR
laevo-
fenchone
FL/FR
thujyl alcohol
FL/FR
verbenone
FL/FR
citrus
ocimene quintoxide
FL/FR
earthy
2-
ethyl fenchol
FL/FR
ethereal
methyl ethyl ketone
FL/FR
floral
dihydrolinalool
FL/FR
linalool oxide (furanoid)
FL/FR
fruity
cherry propanol
FL/FR
herbal
barosma betulina leaf oil
FL/FR
(-)-
bornyl isovalerate
FL/FR
cardamom oleoresin
FL/FR
1,4-
cineole
FL/FR
1,8-
cineole
FL/FR
eucalyptus globulus oil
FL/FR
geranic oxide
FL/FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
hyssop oil
FL/FR
lavandin concrete
FL/FR
abrialis
lavandin oil
FL/FR
spike
lavender absolute
FL/FR
spike
lavender oil
FL/FR
spike
lavender oil spain
FL/FR
melaleuca leucadendron var. cajuputi leaf oil
FL/FR
myrtle oil
FL/FR
origanum oil
FL/FR
origanum oil greece
FL/FR
alpha-
pinene
FL/FR
pinocarveol
FL/FR
piperitone
FL/FR
rosemary absolute
FL/FR
rosemary oil egypt
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
rosemary oleoresin
FL/FR
sage absolute spain
FL/FR
sage oleoresin
FL/FR
white
thyme oil
FL/FR
thyme oil (thymus zygis gracillis) spain
FL/FR
red
thyme oil spain
FL/FR
thymol
FL/FR
medicinal
ortho-
cresyl acetate
FL/FR
summer
savory oil
FL/FR
2,6-
xylenol
FL/FR
mentholic
(±)-iso
menthone
FL/FR
peppermint cyclohexanone
FL/FR
minty
(R)-(+)-
pulegone
FR
naphthyl
1-
methyl naphthalene
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
2-
propyl phenol
FL/FR
4-
propyl phenol
FL/FR
2-iso
propyl phenol
FL/FR
spicy
carvacrol
FL/FR
elettaria cardamomum seed oil
FL/FR
elettaria cardamomum seed oil guatemala
FL/FR
galangal root oil
FL/FR
laurel berry absolute
FL/FR
laurus nobilis fruit oil
FL/FR
laurus nobilis leaf oil
FL/FR
laurus nobilis leaf oil turkey
FL/FR
marjoram oil (thymus mastichina) spain
FL/FR
myrtenal
FL/FR
origanum majorana oil
FL/FR
origanum majorana oil cuba
FL/FR
white
sassafras oil
FL/FR
sugandha kokila berry oil
FR
laevo-
verbenone
FL/FR
zvoulimba leaf oil
FR
terpenic
(R)-(-)-alpha-
phellandrene
FL/FR
thujonic
sage oil (salvia lavandulifolia vahl.) spain
FL/FR
woody
iso
bornyl isovalerate
FL/FR
bornyl valerate
FL/FR
(+)-
camphene
FL/FR
sandal glycol acetal
FR
zedoary bark oil
FL/FR
For Flavor
No flavor group found for these
3-
benzylidene-2-butanone
FL/FR
dextro,laevo-
borneol
FL/FR
dextro-
borneol
FL/FR
bornyl isobutyrate
FL/FR
(-)-
bornyl isovalerate
FL/FR
iso
bornyl methyl ether
FL/FR
butyrophenone
FL/FR
(+)-
camphene
FL/FR
alpha-
campholenic alcohol
FL/FR
chavicol
FL
ortho-
cresyl acetate
FL/FR
epoxyoxophorone
FL
fenchone
FL/FR
laurel berry absolute
FL/FR
laurus nobilis fruit oil
FL/FR
laurus nobilis leaf oil
FL/FR
laurus nobilis leaf oil turkey
FL/FR
linalool oxide (furanoid)
FL/FR
melaleuca leucadendron var. cajuputi leaf oil
FL/FR
methyl thiophene thiol
FL
2-
methyl-3-butanone
FL/FR
(R)-(-)-alpha-
phellandrene
FL/FR
(Z,Z)-
photocitral A
FL
2-
propyl phenol
FL/FR
4-
propyl phenol
FL/FR
white
sassafras oil
FL/FR
verbenone
FL/FR
laevo-
verbenone
FL/FR
yarrow oil
FL/FR
yarrow oil greece
FL/FR
yarrow oil hungary
FL/FR
laurel leaf absolute
FL/FR
thujyl alcohol
FL/FR
alcoholic
alcoholic
3-
hexanol
FL/FR
balsamic
iso
bornyl propionate
FL/FR
burnt
2,6-
xylenol
FL/FR
camphoreous
dextro,laevo-iso
borneol
FL/FR
laevo-
borneol
FL/FR
(±)-
camphor
FL/FR
camphor tree bark oil
FL/FR
fenchol
FL/FR
laevo-
fenchone
FL/FR
geranic oxide
FL/FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
pinocarveol
FL/FR
chemical
methyl ethyl ketone
FL/FR
cooling
1,4-
cineole
FL/FR
beta-homo
cyclocitral
FL/FR
dextro-
fenchone
FL/FR
spike
lavender oil
FL/FR
earthy
2-
ethyl fenchol
FL/FR
floral
dihydrolinalool
FL/FR
fruity
cherry propanol
FL/FR
green
ocimene quintoxide
FL/FR
herbal
barosma betulina leaf oil
FL/FR
cardamom oleoresin
FL/FR
eucalyptus globulus oil
FL/FR
hyssop oil
FL/FR
lavandin concrete
FL/FR
abrialis
lavandin oil
FL/FR
spike
lavender absolute
FL/FR
spike
lavender oil spain
FL/FR
origanum majorana oil
FL/FR
origanum oil
FL/FR
origanum oil greece
FL/FR
rosemary absolute
FL/FR
rosemary oil egypt
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
rosemary oleoresin
FL/FR
sage absolute spain
FL/FR
sage oil (salvia lavandulifolia vahl.) spain
FL/FR
sage oleoresin
FL/FR
white
thyme oil
FL/FR
thyme oil (thymus zygis gracillis) spain
FL/FR
red
thyme oil spain
FL/FR
medicinal
dextro-
camphor
FL/FR
summer
savory oil
FL/FR
mentholic
peppermint cyclohexanone
FL/FR
minty
1,8-
cineole
FL/FR
(±)-iso
menthone
FL/FR
myrtenal
FL/FR
piperitone
FL/FR
naphthyl
1-
methyl naphthalene
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
thymol
FL/FR
solvent
2-iso
propyl phenol
FL/FR
spicy
carvacrol
FL/FR
cubeb oleoresin
FL
elettaria cardamomum seed oil
FL/FR
elettaria cardamomum seed oil guatemala
FL/FR
galangal root oil
FL/FR
marjoram oil (thymus mastichina) spain
FL/FR
myrtle oil
FL/FR
origanum majorana oil cuba
FL/FR
origanum majorana oleoresin
FL
winter
savory oil
FL
woody
iso
bornyl acetate
FL/FR
iso
bornyl formate
FL/FR
iso
bornyl isovalerate
FL/FR
bornyl valerate
FL/FR
alpha-
pinene
FL/FR
zedoary bark oil
FL/FR
 
Potential Uses:
FRbalsam
FL/FRcamphor tree bark
FLherbal
FRlavender
FRrosemary oil replacer
 
Occurrence (nature, food, other):note
 beef fat heated beef fat
Search PMC Picture
 buchu oil
Search Trop Picture
 cornmint oil
Search Trop Picture
 cornmint oil india @ trace%
Data GC Search Trop Picture
 pennyroyal oil
Search Trop Picture
 peppermint leaf
Search Trop Picture
 peppermint oil
Search Trop Picture
 
Synonyms:
 cyclohexanone, 3-methyl-
3-methyl-cyclohexanone
3-methylcyclohexan-1-one
(±)-3-methylcyclohexanone
3-methylcyclohexanone
 tetrahydro-m-cresol
 tetrahydro-meta-cresol
 

Articles:

PubMed:Clathrates of TETROL: Further Aspects of the Selective Inclusion of Methylcyclohexanones in Their Energetically Unfavorable Axial Methyl Conformations.
PubMed:Two subtle amino Acid changes in a transaminase substantially enhance or invert enantiopreference in cascade syntheses.
PubMed:Cloning, expression and characterization of a versatile Baeyer-Villiger monooxygenase from Dietzia sp. D5.
PubMed:Intrinsic optical activity and conformational flexibility: the role of size-dependent ring morphology in model cycloketones.
PubMed:Changes in acaricidal potency by introducing functional radicals and an acaricidal constituent isolated from Schizonepeta tenuifolia.
PubMed:Microbial monooxygenase amperometric biosensor for monitoring of Baeyer-Villiger biotransformation.
PubMed:3-methylcyclohexanone thiosemicarbazone: determination of E/Z isomerization barrier by dynamic high-performance liquid chromatography, configuration assignment and theoretical study of the mechanisms involved by the spontaneous, acid and base catalyzed processes.
PubMed:Enhanced enantioselectivity of 3-methylcyclohexanone by mixed diol host compounds.
PubMed:Probing enantioselectivity on chirally modified Cu(110), Cu(100), and Cu(111) surfaces.
PubMed:Asymmetric total syntheses of cyclic nitrone-containing phlegmarine-type Lycopodium alkaloids, lycoposerramines-X and -Z.
PubMed:Total synthesis of (+)-neomarinone.
PubMed:Nitration versus nitrosation chemistry of menthofuran: remarkable fragmentation and dimerization pathways and expeditious entry into dehydromenthofurolactone.
PubMed:Enantioselective separation on a naturally chiral surface.
PubMed:Enantiospecific desorption of chiral compounds from chiral Cu(643) and achiral Cu(111) surfaces.
PubMed:Metabolic fate of S-(-)-pulegone in rat.
PubMed:Metabolic fate of menthofuran in rats. Novel oxidative pathways.
PubMed:STEREOCHEMICAL ASPECTS OF THE METABOLISM OF THE ISOMERIC METHYLCYCLOHEXANOLS AND METHYLCYCLOHEXANONES.
 
Notes:
Flavouring ingredient for candies etc
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