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

2-tert-butyl cyclohexanone
cyclohexanone, 2-(1,1-dimethylethyl)-

Sponsors

Name:2-tert-butylcyclohexan-1-one
CAS Number: 1728-46-7Picture of molecule3D/inchi
Other:13152-46-0
ECHA EINECS - REACH Pre-Reg:217-043-8
FDA UNII:TEC7LUO1VP
Nikkaji Web:J150.046E
Beilstein Number:2041417
MDL:MFCD00009696
XlogP3-AA:2.70 (est)
Molecular Weight:154.25266000
Formula:C10 H18 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Name:(2R)-2-tert-butylcyclohexan-1-one
CAS Number: 1728-46-7 (R)Picture of molecule3D/inchi
Nikkaji Web:J916.004C
XlogP3-AA:2.70 (est)
Molecular Weight:154.25266000
Formula:C10 H18 O
NMR Predictor:Predict (works with chrome or firefox)
Name:(2S)-2-tert-butylcyclohexan-1-one
CAS Number: 1728-46-7 (S)Picture of molecule3D/inchi
Nikkaji Web:J916.003E
XlogP3-AA:2.70 (est)
Molecular Weight:154.25266000
Formula:C10 H18 O
NMR Predictor:Predict (works with chrome or firefox)
Category: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
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.90600 to 0.91400 @ 25.00 °C.
Pounds per Gallon - (est).: 7.539 to 7.605
Specific Gravity:0.90700 to 0.91500 @ 20.00 °C.
Pounds per Gallon - est.: 7.556 to 7.623
Refractive Index:1.45400 to 1.45900 @ 20.00 °C.
Refractive Index:1.45700 @ 20.00 °C.
Boiling Point: 62.50 °C. @ 4.00 mm Hg
Vapor Pressure:0.348000 mm/Hg @ 25.00 °C. (est)
Flash Point: 167.00 °F. TCC ( 75.00 °C. )
logP (o/w): 2.630 (est)
Soluble in:
 alcohol
 water, 239.8 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: woody
Odor Strength:high ,
recommend smelling in a 10.00 % solution or less
woody camphoreous orris
Odor Description:at 10.00 % in dipropylene glycol. powerful woody camphor
Odor and/or flavor descriptions from others (if found).
IFF
Verdone
Odor Description:Powerful woody camphoraceous odor with great intensity and consistency
Indukern F&F
VERDONE
Odor Description:POWERFUL, WOODY, CAMPHORATED
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
IFF
Verdone
Odor: Powerful woody camphoraceous odor with great intensity and consistency
Indukern F&F
VERDONE
Odor: POWERFUL, WOODY, CAMPHORATED
Keva
OTBC KETONE
Kun Shan P&A
Verdone
Penta International
o-tert-BUTYLCYCLOHEXANONE
Perfumery Laboratory
VERDON IFF (VERDONE IFF)
Odor: Powerful, woody, camphor aroma with a bright note of fresh mint leaves
Santa Cruz Biotechnology
For experimental / research use only.
2-tert-Butylcyclohexanone
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-tert-Butylcyclohexanone 97%
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
 
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: fragrance agents
Recommendation for 2-tert-butyl cyclohexanone usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Recommendation for 2-tert-butyl cyclohexanone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):1728-46-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :102681
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
2-tert-butylcyclohexan-1-one
Chemidplus:0001728467
(2R)-2-tert-butylcyclohexan-1-one
(2S)-2-tert-butylcyclohexan-1-one
 
References:
 2-tert-butylcyclohexan-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1728-46-7
Pubchem (cid):102681
Pubchem (sid):135057793
 (2R)-2-tert-butylcyclohexan-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1728-46-7
Pubchem (cid):7004918
Pubchem (sid):43603522
 (2S)-2-tert-butylcyclohexan-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1728-46-7
Pubchem (cid):7004919
Pubchem (sid):43603523
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2914.29.5000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
nonanal (aldehyde C-9)
FL/FR
TMH aldehyde
FR
amber
formoxymethyl isolongifolene
FR
balsamic
laevo-
borneol
FL/FR
dextro,laevo-
borneol
FL/FR
iso
bornyl methyl ether
FL/FR
iso
bornyl propionate
FL/FR
camphoreous
2,6-
dimethyl-3-oxatricyclo(4.2.1.0*2,4*)nonane
FR
citrus
ocimene quintoxide
FL/FR
earthy
amyl octanoate
FL/FR
(-)-alpha-
fenchol
FL/FR
2-
octanone
FL/FR
fatty
(Z)-2-
nonenal
CS
floral
anise indene
FR
bois de rose oil peru
FL/FR
dihydro-alpha-ionone
FL/FR
ho leaf oil
FR
(E)-beta-
ionone
FL/FR
alpha-
ionone
FL/FR
alpha-
irone
FL/FR
(Z)-
jasmone
FL/FR
N-
methyl ionone
FR
beta-iso
methyl ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
orris pyridine 25% IPM
FR
petitgrain bigarade oil
FL/FR
fruity
3-
allyl oxy-1,4-dimethyl bicyclo(3.2.1)octane
FR
3-
benzyl-4-heptanone
FL/FR
methyl heptanoate
FL/FR
green
iso
cyclocitral (IFF)
FL/FR
para-
methyl hydratropaldehyde
FL/FR
herbal
1-
allyl-2,2,7,7-tetramethyl cycloheptanol
FR
barosma betulina leaf oil
FL/FR
2-
cyclohexyl cyclohexanone
FR
dimethyl cyclormol (IFF)
FR
geranic oxide
FL/FR
herbal dioxane
FR
methyl cyclogeranate (Firmenich)
FR
nonisyl acetate
FR
origanum oil
FL/FR
origanum oil greece
FL/FR
pinocarveol
FL/FR
rosemary absolute
FL/FR
rosemary oil
FL/FR
rosemary oil africa
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
rosemary oil tunisia
FL/FR
thyme oil wild or creeping
FL/FR
melon
(Z)-6-
nonenal
FL/FR
mentholic
peppermint cyclohexanone
FL/FR
orris
iso
eugenyl formate
FL/FR
eugenyl formate
FL/FR
2(1)-
orris butanal
FL/FR
orris capronate
FL/FR
para-iso
propyl acetophenone
FL/FR
powdery
dimethyl ionone
FR
alpha-
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
spicy
carvacrol
FL/FR
cinnamon acrolein
FL/FR
4-iso
propyl-2-cyclohexenone
FL/FR
white
sassafras oil
FL/FR
thujonic
cedarleaf oil terpeneless
FR
woody ketone
FL/FR
waxy
ethyl myristate
FL/FR
myristyl alcohol
FL/FR
woody
camphene
FL/FR
cistus twig/leaf oil
FL/FR
diethyl dimethyl-2-cyclohexenone
FR
dihydro-beta-ionone
FL/FR
hinoki root oil
FR
juniper berry oil terpenes
FR
marine formate
FR
orris hexanone
FR
polylimonene
FL/FR
spruce needle oil canada
FL/FR
woody nonane (ethoxy)
FR
For Flavor
No flavor group found for these
amyl octanoate
FL/FR
dextro,laevo-
borneol
FL/FR
iso
bornyl methyl ether
FL/FR
cistus twig/leaf oil
FL/FR
costus root absolute
FL
costus root resinoid
FL
eugenyl formate
FL/FR
iso
eugenyl formate
FL/FR
beta-iso
methyl ionone
FL/FR
1-
methyl pyrrole
FL
myristyl alcohol
FL/FR
2(1)-
orris butanal
FL/FR
polylimonene
FL/FR
4-iso
propyl-2-cyclohexenone
FL/FR
white
sassafras oil
FL/FR
woody ketone
FL/FR
aldehydic
aldehydic
nonanal (aldehyde C-9)
FL/FR
balsamic
iso
bornyl propionate
FL/FR
berry
dihydro-alpha-ionone
FL/FR
camphoreous
laevo-
borneol
FL/FR
camphene
FL/FR
(-)-alpha-
fenchol
FL/FR
geranic oxide
FL/FR
pinocarveol
FL/FR
rosemary oil tunisia
FL/FR
citrus
petitgrain bigarade oil
FL/FR
dairy
2-
octanone
FL/FR
floral
bois de rose oil peru
FL/FR
alpha-
ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
fruity
3-
benzyl-4-heptanone
FL/FR
methyl heptanoate
FL/FR
alpha-
methyl ionone
FL/FR
green
iso
cyclocitral (IFF)
FL/FR
para-
methyl hydratropaldehyde
FL/FR
(Z)-6-
nonenal
FL/FR
ocimene quintoxide
FL/FR
herbal
barosma betulina leaf oil
FL/FR
origanum oil
FL/FR
origanum oil greece
FL/FR
rosemary absolute
FL/FR
rosemary oil
FL/FR
rosemary oil africa
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
thyme oil wild or creeping
FL/FR
mentholic
peppermint cyclohexanone
FL/FR
orris
costus root oil
FL
orris capronate
FL/FR
spicy
carvacrol
FL/FR
cinnamon acrolein
FL/FR
para-iso
propyl acetophenone
FL/FR
waxy
ethyl myristate
FL/FR
woody
dihydro-beta-ionone
FL/FR
(E)-beta-
ionone
FL/FR
alpha-
irone
FL/FR
(Z)-
jasmone
FL/FR
spruce needle oil canada
FL/FR
 
Potential Uses:
 diffusion
FRherbal
 intensifier
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
ortho-tert-butyl cyclohexanone
2-(tert-butyl)cyclohexan-1-one
2-tert-butylcyclohexan-1-one
2-t-butylcyclohexanone
2-tert-butylcyclohexanone
o-tert-butylcyclohexanone
ortho-tert-butylcyclohexanone
 cyclohexanone, 2-(1,1-dimethylethyl)-
2-(1,1-dimethyl ethyl) cyclohexanone
2-(1,1-dimethylethyl)cyclohexanone
 verdone (IFF)
 

Articles:

PubMed:Nickel supported carbon nanofibers as an active and selective catalyst for the gas-phase hydrogenation of 2-tert-butylphenol.
PubMed:Parabolic Relationship between the Basicity of the Nucleophile and pi-Face Selection in Addition of the Substituted Acetylide Ions to Cyclohexanone and Cyclohexanethione.
PubMed:Promoting effect of 2-n-alkylcyclohexanones on the percutaneous absorption of indomethacin.
PubMed:Effect of cyclohexanone derivatives on in vitro percutaneous absorption of indomethacin.
PubMed:Effect of cyclohexanone derivatives on percutaneous absorption of ketoprofen and indomethacin.
PubMed:The metabolism of the isomeric tert.-butylcyclohexanones.
 
Notes:
None found
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