(E)-para-menthane-3,8-diol
organoleptics  properties  safety  references    FEMA Index    Home Page
 
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IUPAC name :(1R,2R,5R)-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/t7-,8-,9-/m1/s1
InChIKey :LMXFTMYMHGYJEI-IWSPIJDZBE
SMILES :C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)O
cas number :3564-98-5
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 (IUPAC)
formula :C10 H20 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor type :herbal
odor strength :medium
odor description:
at 100.00 %.  		herbal eucalyptus minty
properties :
appearence :white crystals
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 34.00 to 35.00 °C. @ 760.00 mm Hg
boiling point : 267.00 to 268.00 °C. @ 760.00 mm Hg
vapor pressure :0.00100 mm/Hg @ 25.00 °C.
flash point : 249.00  °F.  TCC  ( 120.56 °C. )
logP (o/w) : 1.37
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Subcutaneous-Mouse  1240.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for (E)-para-menthane-3,8-diol fragrance usage levels up to :
  1.0000 % 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.
 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 references :
EPI System :view
Toxicology Citations :Search
 
 
 
 
(1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
chemidplus :003564985
EPA Substance Registry Services :3564-98-5
references :
 
(1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
NIST Chemistry WebBook :3564985
pubchem :162052
other :
synonyms :
(1-alpha,2-beta,4-beta)-2-hydroxy-alpha,alpha,4-trimethyl cyclohexane methanol
(1R,2R,4E)-2-hydroxy-alpha,alpha,4-trimethyl cyclohexane methanol
(1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
(Z)-1,3,(E)-1,4-para-menthane-3,8-diol
cis-1,3,trans-1,4-para-menthane-3,8-diol
 menthoglycol
(-)-isopulegol hydrate
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
potential blenders :
2-acetoxy-1,8-cineoleFL
 cajuput oilFL/FR
 cardamom seed oilFL/FR
1,8-cineoleFL/FR
 cornmint oilFL/FR
ortho-cresyl salicylateFL/FR
isodihydrolavandulolFR
isodihydrolavandulyl acetateFR
 estragoleFL
 herbal ethanoneFR
 herbal undecaneFR
 herbal undecanolFR
 hyssop oilFL/FR
 lavender oil spike franceFL/FR
 lavender oil spike spainFL/FR
 marjoram oilFL/FR
 menthadienyl formateFR
homomenthyl acetateFL/FR
laevo-menthyl acetateFL/FR
 niaouli oilFL/FR
 petitgrain combava oilFL
 piperitenone oxideFL
 piperitoneFL/FR
 rosemary absoluteFL/FR
 sabinene hydrateFL/FR
 sage oilFL/FR
potential uses :
 eucalyptus
 herbal
 papaya
 rosemary
natural occurrence in :
 not found in nature  



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