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isomethyl tetrahydroionyl acetate
cyclohexanepropanol, alpha,beta,2,2,6-pentamethyl-, acetate

Supplier Sponsors

Name:[3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-yl] acetate
CAS Number: 60241-55-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:262-118-0
Nikkaji Web:J298.801A
XlogP3-AA:5.30 (est)
Molecular Weight:254.41350000
Formula:C16 H30 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.92500 to 0.93500 @ 25.00 °C.
Pounds per Gallon - (est).: 7.697 to 7.780
Refractive Index:1.45500 to 1.46800 @ 20.00 °C.
Boiling Point: 90.00 °C. @ 1.00 mm Hg
Boiling Point: 275.00 to 276.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.005000 mm/Hg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 5.935 (est)
Soluble in:
 alcohol
 water, 0.1048 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: woody
Odor Strength:medium
woody vetiver powdery
Odor Description:at 100.00 %. woody vetiver acetate powdery
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
ISOMETHYL TETRAHYDROIONYL ACETATE
Odor Description: A vetivert-acetate type odor
Used in fragrance specialties.
 
Cosmetic Information:
None found
 
Suppliers:
Bedoukian Research
ISOMETHYL TETRAHYDROIONYL ACETATE
Odor: A vetivert-acetate type odor
Use: Used in fragrance specialties.
 
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: fragrance agents
Recommendation for isomethyl tetrahydroionyl acetate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Recommendation for isomethyl tetrahydroionyl acetate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):60241-55-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :108426
National Institute of Allergy and Infectious Diseases:Data
[3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-yl] acetate
Chemidplus:0060241556
 
References:
 [3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-yl] acetate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):108426
Pubchem (sid):135064990
 
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.39.9050
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-beta-
methyl ionone
FL/FR
(E)-
sabinene hydrate
FL/FR
amber
amber
acetoxymethyl isolongifolene
FR
amber spirolene
FR
formoxymethyl isolongifolene
FR
animal
iso
butyl quinoline
FR
anisic
para-
anisyl phenyl acetate
FL/FR
balsamic
siam
benzoin absolute
FL/FR
siam
benzoin resinoid
FL/FR
1-
benzoyl acetone
FL/FR
benzyl cinnamate
FL/FR
laevo-
bornyl acetate
FL/FR
brachyleana hutchinsii wood oil
FR
cinnamyl cinnamate
FL/FR
conifer acetate
FR
fir needle oil canada
FL/FR
fir needle oil terpeneless canada
FL/FR
guaiyl butyrate
FR
hemlock western oil (tsuga heterophylla) canada
FR
juniper berry absolute
FL/FR
alpha-
methyl cinnamyl alcohol
FR
methyl hydrogenated rosinate
FR
myrrh absolute
FL/FR
myrrh resinoid
FR
tolu balsam absolute
FL/FR
tolu balsam resinoid
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
grapefruit indene
FR
grapefruit nitrile
FR
grapefruit pentanol
FR
myrcenyl acetate
FL/FR
earthy
(Z)-
linalool oxide (furanoid)
FL/FR
patchouli cyclohexanol
FR
floral
4-tert-
butyl cyclohexane carboxaldehyde
FR
cananga oil
FL/FR
cananga oil china
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
gardenia decalone
FR
alpha-
ionol
FL/FR
(E)-beta-
ionone
FL/FR
alpha-
ionone
FL/FR
beta-
ionone
FL/FR
alpha-
ionyl acetate
FR
alpha-
irone
FL/FR
linaloe wood oil mexico
FL/FR
laevo-
linalool
FL/FR
linalool oxide
FL/FR
beta-iso
methyl ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
methyl ionyl acetate
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
petitgrain cedrat oil
FL/FR
phenethyl salicylate
FL/FR
phenyl glycol diacetate
FR
rose absolute (rosa centifolia) morocco
FL/FR
styralyl formate
FL/FR
vetiver pentanone
FR
fruity
benzyl propionate
FL/FR
iso
butyl furyl propionate
FL/FR
tropical ionone
FL/FR
green
bergoxane
FR
galbanum absolute
FL/FR
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
herbal
bornane-3,1-cyclopenta-2-one
FR
canarium luzonicum gum
FL/FR
eucalyptus citriodora oil
FR
freesia heptanol
FL/FR
rosemary absolute
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
honey
methyl hydrocinnamate
FL/FR
powdery
(E)-alpha-
methyl ionone (50-60%)
FL/FR
spicy
amyl isoeugenol
FR
elettaria cardamomum seed oil
FL/FR
nutmeg absolute
FL/FR
terpenic
elemi resinoid
FL/FR
pine needle oil dwarf
FL/FR
woody
agarwood oil replacer
FR
agarwood specialty
FR
amyris acetate
FR
iso
butyl ionone
FR
cedar cyclododecatriene
FR
cedryl formate
FR
copaiba balsam
FL/FR
guaiacwood extract acetate
FR
guaiacwood oil 20% in gurjun balsam oil
FR
alpha-
guaiene
FL/FR
gurjun balsam oil
FR
alpha-
gurjunene
FR
herbal norbornane
FR
4-
hydroxybenzaldehyde
FL/FR
methyl cedryl ketone
FL/FR
alpha-iso
methyl ionol
FR
patchouli oil
FL/FR
sandal cyclopropane
FL/FR
sandal octanol
FR
sandalwood oil
FL/FR
sandalwood oil west australia (santalum spicatum)
FR
santalyl butyrate
FL/FR
symroxane (Symrise)
FR
vetiverol
FL/FR
vetiveryl acetate
FL/FR
vetylbois
FR
For Flavor
No flavor group found for these
1-
benzoyl acetone
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
fir needle oil canada
FL/FR
alpha-
guaiene
FL/FR
linaloe wood oil mexico
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
methyl hydrocinnamate
FL/FR
(E)-beta-
methyl ionone
FL/FR
beta-iso
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
(E)-
sabinene hydrate
FL/FR
santalyl butyrate
FL/FR
styralyl formate
FL/FR
vetiveryl acetate
FL/FR
iso
butyl furyl propionate
FL/FR
amber
amber
sandal cyclopropane
FL/FR
anisic
para-
anisyl phenyl acetate
FL/FR
balsamic
siam
benzoin resinoid
FL/FR
laevo-
bornyl acetate
FL/FR
fir needle oil terpeneless canada
FL/FR
juniper berry absolute
FL/FR
myrrh absolute
FL/FR
tolu balsam absolute
FL/FR
tolu balsam resinoid
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
freesia heptanol
FL/FR
laevo-
linalool
FL/FR
myrcenyl acetate
FL/FR
petitgrain cedrat oil
FL/FR
creamy
4-
hydroxybenzaldehyde
FL/FR
floral
cananga oil
FL/FR
cananga oil china
FL/FR
alpha-
ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
tropical ionone
FL/FR
fruity
benzyl propionate
FL/FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
green
canarium luzonicum gum
FL/FR
elemi resinoid
FL/FR
galbanum absolute
FL/FR
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
linalool oxide
FL/FR
herbal
rosemary absolute
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
medicinal,
phenethyl salicylate
FL/FR
pine
pine needle oil dwarf
FL/FR
spicy
siam
benzoin absolute
FL/FR
benzyl cinnamate
FL/FR
cinnamyl cinnamate
FL/FR
elettaria cardamomum seed oil
FL/FR
nutmeg absolute
FL/FR
sweet
orris rhizome absolute (iris pallida)
FL/FR
woody
copaiba balsam
FL/FR
alpha-
ionol
FL/FR
(E)-beta-
ionone
FL/FR
beta-
ionone
FL/FR
alpha-
irone
FL/FR
methyl cedryl ketone
FL/FR
methyl ionyl acetate
FL/FR
patchouli oil
FL/FR
sandalwood oil
FL/FR
vetiverol
FL/FR
 
Potential Uses:
FRamber
FRoriental
FRvetiver
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 cyclohexanepropanol, alpha,beta,2,2,6-pentamethyl-, acetate
 cyclohexanepropanol, alpha,beta,2,6,6-pentamethyl-, 1-acetate
[3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-yl] acetate
alpha,beta,2,2,6-pentamethyl cyclohexyl propyl acetate
 

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