isopulegone
 
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IUPAC name :5-methyl-2-prop-1-en-2-ylcyclohexan-1-one
InChI :InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3
InChIKey :RMIANEGNSBUGDJ-UHFFFAOYAX
SMILES :CC1CCC(C(=O)C1)C(=C)C
(EINECS) number :249-725-6
cas number :29606-79-9
fema number :2964
coe number :2051
jecfa number :754
fl. number :07.067
molar refractivity :45.88 ± 0.3 cm3
parachor :387.4 ± 6.0 cm3
index of refraction :1.457 ± 0.02
surface tension :27.9 ± 3.0 dyne/cm
density :0.903 ± 0.06 g/cm3
polarizability :18.19 ± 0.5 10-24cm3
xlogp : 2.10
molecular weight : 152.2334400
formula :C10 H16 O
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :
odor type :minty
odor strength :medium
odor description :
at 100.00 %.  
peppermint fresh herbal

properties :
appearence :colorless clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 101.00 - 102.00 °C. @ 17.00 mm Hg
logp : 2.47

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 175.00  °F.  TCC  ( 79.44 °C. )
  
recommendation for isopulegone usage levels up to :
  1.0000 % in the fragrance concentrate.
  
recommendation for isopulegone usage levels up to :
  16.0000 ppm in the flavor.
  

safety links :
(EINECS) number :249-725-6
chemidplus :029606799
epa-srs :29606-79-9
  

other :
 

references :
jecfa number :754
fl. number :07.067
pubchem :176358
  
synonyms :
para-menth-8-en-3-one
delta-8,9-para-menthen-3-one
trans-5-methyl-2-(1-methyl vinyl) cyclohexan-1-one
1-methyl-4-isopropenyl-3-cyclohexanone
1-isopropyl-4-methyl-2-cyclohexanone
isopulegone
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
3-benzyl-4-heptanone
 cornmint oil
 cornmint oil india
 cornmint oil terpeneless
isodihydrolavandulol
isodihydrolavandulyl acetate
(±)-N,N-dimethyl menthyl succinamide
 herbal ethanone
 herbal undecanol
 hyssop oil
 menthadienyl formate
para-menthane-3,8-diol
dextro,laevo-menthol
homomenthol
laevo-menthol
isomenthone
laevo-menthone
3-laevo-menthoxy-2-methyl propane-1,2-diol
dextro,laevo-menthyl acetate
homomenthyl acetate
laevo-menthyl acetate
 menthyl methyl lactate
 pennyroyal oil
 peppermint cyclohexanone
 peppermint oil
 peppermint oil terpeneless america
 piperitenone oxide
 piperitone
dextro-piperitone
isopulegol
 pulegone
isopulegyl acetate
 rosemary absolute
 tansy flower oil canada
 tansy flower oil dutch
 tansy oil
 trimethyl isopropyl butanamide
(odor and/or flavor) used in :
 herbal
 mint
 pepper
 peppermint
natural occurrence in :
data pagecalamintha nepeta (l.) savi subsp. glandulosa oil greece @ 0.70%
data pageplectranthus glandulosus hook f. leaf oil cameroon @ 1.80%
data pagesatureja viminea l. oil costa rica @ 0.60%
data pagetsauri grass oil @ 1.40%



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