laevo-monomenthyl glutarate
 
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IUPAC name :5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoic acid
InChI :InChI=1/C15H26O4/c1-10(2)12-8-7-11(3)9-13(12)19-15(18)6-4-5-14(16)17/h10-13H,4-9H2,1-3H3,(H,16,17)
InChIKey :CTMTYSVTTGVYAW-UHFFFAOYAR
SMILES :CC1CCC(C(C1)OC(=O)CCCC(=O)O)C(C)C
cas number :220621-22-7
fema number :4006
jecfa number :1414
molar refractivity :72.87 ± 0.4 cm3
parachor :640.8 ± 6.0 cm3
index of refraction :1.478 ± 0.03
surface tension :38.4 ± 5.0 dyne/cm
density :1.05 ± 0.1 g/cm3
polarizability :28.88 ± 0.5 10-24cm3
xlogp : 3.70
molecular weight : 270.3645400
formula :C15 H26 O4
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor type :minty
odor strength :medium
odor description :
at 100.00 %.  
minty menthol

properties :
appearence :colorless clear viscous liquid
assay : 80.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.89400 to 0.90000 @ 20.00 °C.
pounds per gallon - calc. : 7.448 to 7.498
refractive index :1.46500 to 1.47100 @ 20.00 °C.
boiling point : 301.00 to 306.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 4.12

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 279.00  °F.  TCC  ( 137.22 °C. )
recommendation for laevo-monomenthyl glutarate 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 : 20.
 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : 50.00000125.00000
beverages(alcoholic) : 50.00000150.00000
breakfast cereal : --
cheese : --
chewing gum : 1500.000004000.00000
condiments / relishes : --
confectionery froastings : 200.00000600.00000
egg products : --
fats / oils : --
fish products : --
frozen dairy : --
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : 300.00000700.00000
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 : 40.0000080.00000
soft candy : 250.00000600.00000
soups : --
sugar substitutes : --
sweet sauces : --

safety references :
EPI System :view
 
 
 5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoic acid
chemidplus :220621-22-7
EPA Substance Registry Services :220621-22-7
NLM Chemical Carcinogenesis Research Information System :220621-22-7
NLM Developmental and Reproductive Toxicity :220621-22-7
NLM Env. Mutagen Info. Center :220621-22-7
NLM GENetic TOXicology :220621-22-7

references :
 5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoic acid
jecfa number :1414
pubchem :39963803

other :
synonyms :
laevo-monomenthane-3-yl glutarate
laevo-monomenthyl glutarate

soluble in :
 alcohol
 propylene glycol

insoluble in :
 water

(odor and/or flavor) blends with :
 camphene hydrate
dextro-neomenthol
isomenthone
laevo-menthone
 menthyl propylene glycol carbonate
 thujyl alcohol
 verbenone
 WS-5

(odor and/or flavor) used in :
 balsam
 cornmint
 herbal
 mint
 peppermint

natural occurrence in :
not found in nature



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Html Last modified 11/29/2008