homomenthyl acetate
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Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(3,3,5-trimethylcyclohexyl) acetate
InChI :InChI=1/C11H20O2/c1-8-5-10(13-9(2)12)7-11(3,4)6-8/h8,10H,5-7H2,1-4H3
InChIKey :OIVWFAFCHQDCCG-UHFFFAOYAI
SMILES :CC1CC(CC(C1)(C)C)OC(=O)C
cas number :67859-96-5
(EINECS) number :267-430-0
fema number :4512
molar refractivity :52.74 ± 0.4 cm3
parachor :458.7 ± 6.0 cm3
index of refraction :1.448 ± 0.03
surface tension :29.5 ± 5.0 dyne/cm
density :0.93 ± 0.1 g/cm3
polarizability :20.91 ± 0.5 10-24cm3
XlogP : 3.70
molecular weight : 184.2753000 (IUPAC)
formula :C11 H20 O2
NMR Predictor :Predict
 
 
export tariff code :2915.39.9500
fda reg :unspecified

Suppliers :
Bedoukian Research :HOMOMENTHYL ACETATE
≥95.0% (sum of isomers), Kosher
Odor:  minty herbaceous
Inoue :3,3,5-TRIMETHYLCYCLOHEXYL ACETATE
Penta :homomenthyl acetate
Symrise :Mintonat
Vigon :Mintonat

organoleptics :
odor type :minty
odor strength :medium
odor description :
at 100.00 %.  
mint herbal lavandin sweet

properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.91300 to 0.92300 @ 25.00 °C.
pounds per gallon - calc. : 7.597 to 7.680
refractive index :1.43500 to 1.44600 @ 20.00 °C.
boiling point : 83.00 °C. @ 2.00 mm Hg
boiling point : 209.00 to 210.00 °C. @ 760.00 mm Hg
vapor pressure :0.19900 mm/Hg @ 25.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 170.00  °F.  TCC  ( 76.67 °C. )
logP (o/w) : 3.76

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for homomenthyl acetate usage levels up to :
  6.0000 % in the fragrance concentrate.
 
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 on the "LIBRARY" link.
publication number : 24
 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : 0.200001.00000
beverages(alcoholic) : 0.200001.00000
breakfast cereal : --
cheese : --
chewing gum : 5.0000025.00000
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : --
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : 5.0000025.00000
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 : 5.0000025.00000
soups : --
sugar substitutes : --
sweet sauces : --

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 (3,3,5-trimethylcyclohexyl) acetate
(EINECS) number :267-430-0
chemidplus :067859965
EPA Substance Registry Services :67859-96-5

references :
 (3,3,5-trimethylcyclohexyl) acetate
pubchem :684123

other :
synonyms :
homomenthol acetate
 mintonat
3,3,5-trimethyl cyclohexanol acetate
3,3,5-trimethyl cyclohexyl acetate
(3,3,5-trimethyl cyclohexyl) acetate
3,3,5-trimethylcyclohexyl acetate
(3,3,5-trimethylcyclohexyl) acetate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 cornmint oil
 cornmint oil india
isodihydrolavandulol
isodihydrolavandulyl acetate
 estragole
 herbal ethanone
 herbal undecanol
 hyssop oil
 lavandin absolute
 lavandin water (lavandula hydrida)
 lavender oil spike france
 lavender oil spike spain
 lavender spike absolute
 menthadienyl formate
para-menthane-3,8-diol
homomenthyl acetate
laevo-menthyl acetate
 piperitenone oxide
 piperitone
 rosemary absolute

(odor and/or flavor) used in :
 herbal
 lavandin
 mint

natural occurrence in :
not found in nature



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