para-menthane-3,8-diol
 
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IUPAC name :2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
InChI :InChI=1/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3
InChIKey :LMXFTMYMHGYJEI-UHFFFAOYAL
SMILES :CC1CCC(C(C1)O)C(C)(C)O
(EINECS) number :255-953-7
cas number :42822-86-6
fema number :4053
jecfa number :1416
fl. number :02.246
molar refractivity :49.06 ± 0.3 cm3
parachor :425.1 ± 6.0 cm3
index of refraction :1.486 ± 0.02
surface tension :38.5 ± 3.0 dyne/cm
density :1.009 ± 0.06 g/cm3
polarizability :19.45 ± 0.5 10-24cm3
xlogp : 2.30
molecular weight : 172.2646000
formula :C10 H20 O2
 

 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor type :herbal
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
minty herbal eucalyptus

properties :
appearence :white crystals
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 34.00 to 35.00 °C. @ 760.00 mm Hg
boiling point : 266.00 to 268.00 °C. @ 760.00 mm Hg
logp : 1.37

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 248.00  °F.  TCC  ( 120.00 °C. )
recommendation for para-menthane-3,8-diol usage levels up to :
  5.0000 % 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).
publication number : 21.
4053 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : 5.0000025.00000
beverages(alcoholic) : 5.0000025.00000
breakfast cereal : 5.0000020.00000
cheese : 5.0000025.00000
chewing gum : 75.00000150.00000
condiments / relishes : 5.0000025.00000
confectionery froastings : 5.0000025.00000
egg products : --
fats / oils : 5.0000025.00000
fish products : --
frozen dairy : 5.0000025.00000
fruit ices : 5.0000025.00000
gelatins / puddings : 10.0000050.00000
granulated sugar : --
gravies : 5.0000035.00000
hard candy : 30.00000100.00000
imitation dairy : 5.0000035.00000
instant coffee / tea : --
jams / jellies : 10.0000050.00000
meat products : --
milk products : --
nut products : 10.0000050.00000
other grains : --
poultry : --
processed fruits : 5.0000025.00000
processed vegetables : 5.0000025.00000
reconstituted vegetables : 5.0000025.00000
seasonings / flavors : --
snack foods : 5.0000025.00000
soft candy : 10.0000050.00000
soups : 7.0000035.00000
sugar substitutes : --
sweet sauces : 5.0000050.00000

safety links :
 
 
(EINECS) number :255-953-7
chemidplus :042822866
EPA Substance Registry Services :42822-86-6
NLM Chemical Carcinogenesis Research Information System :42822-86-6
NLM Developmental and Reproductive Toxicity :42822-86-6
NLM Env. Mutagen Info. Center :42822-86-6
NLM GENetic TOXicology :42822-86-6
EPI System :view

other :

references :
jecfa number :1416
fl. number :02.246
pubchem :3741866
synonyms :
 cubebaol
2-(1-hydroxy-1-methyl ethyl)-5-methyl cyclohexanol
1-hydroxy-2-(1-methyl-1-hydroxyethyl)-5-methyl cyclohexane
2-hydroxy-alpha,alpha,4-trimethyl cyclohexane methanol
(1alpha,3beta,4beta)-para-menthane-3,8-diol
para-menthane-3,8-diol
isopulegol hydrate

soluble in :
 alcohol
 water, slightly

insoluble in :
 water

stability :

(odor and/or flavor) blends with :
2-acetoxy-1,8-cineole
 cajuput oil
 cardamom seed oil
1,8-cineole
 cornmint oil
ortho-cresyl salicylate
isodihydrolavandulol
isodihydrolavandulyl acetate
 estragole
 herbal ethanone
 herbal undecane
 herbal undecanol
 hyssop oil
 lavender oil spike france
 lavender oil spike spain
 marjoram oil
 menthadienyl formate
homomenthyl acetate
laevo-menthyl acetate
 niaouli oil
 petitgrain combava oil
 piperitenone oxide
 piperitone
 rosemary absolute
 sabinene hydrate
 sage oil

(odor and/or flavor) used in :
 herbal
 minty

natural occurrence in :
litsea cubeba



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Html Last modified 11/23/2008