piperitenone oxide
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IUPAC name :1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-5-one
InChI :InChI=1/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3
InChIKey :AKASWINDKIEEBO-UHFFFAOYAW
SMILES :CC(=C1CCC2(C(C1=O)O2)C)C
cas number :35178-55-3
fema number :4199
coe number :10508
jecfa number :1574
fl. number :16.044
molar refractivity :45.54 ± 0.3 cm3
parachor :371.3 ± 6.0 cm3
index of refraction :1.521 ± 0.02
surface tension :38.1 ± 3.0 dyne/cm
density :1.112 ± 0.06 g/cm3
polarizability :18.05 ± 0.5 10-24cm3
XlogP : 1.00
molecular weight : 166.2169600
formula :C10 H14 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515

Suppliers :
Nanjing :Piperitenone oxide

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

properties :
appearence :colorless solid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 25.00 °C. @ 760.00 mm Hg
boiling point : 255.00 to 256.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 225.00  °F.  TCC  ( 107.22 °C. )
logP (o/w) : 1.12

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.20 (μg/capita/day)
 
recommendation for piperitenone oxide usage levels up to :
 not for fragrance use.
 
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 : 22
 average usual ppmaverage maximum ppm
baked goods : 3.0000015.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : 2.0000010.00000
cheese : 2.0000010.00000
chewing gum : --
condiments / relishes : 5.0000025.00000
confectionery froastings : --
egg products : 2.0000010.00000
fats / oils : 2.0000010.00000
fish products : 3.0000015.00000
frozen dairy : 5.0000025.00000
fruit ices : 1.000005.00000
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : --
nut products : --
other grains : 3.0000015.00000
poultry : --
processed fruits : 1.000005.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 2.0000010.00000
soups : --
sugar substitutes : --
sweet sauces : --

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
 
 
 
 1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-5-one
chemidplus :035178553
EPA Substance Registry Services :35178-55-3

references :
 1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-5-one
fl. number :16.044
jecfa number :1574
pubchem :198346

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
1,2-epoxy-para-menth-4(8)-en-3-one
6-methyl-3-(1-methyl ethylidene)-7-oxabicyclo(4.1.0)heptan-2-one
1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-5-one

soluble in :
 alcohol
 water

(odor and/or flavor) blends with :
 cornmint oil
 cornmint oil india
isodihydrolavandulol
isodihydrolavandulyl acetate
 estragole
 herbal ethanone
 herbal undecanol
 hyssop oil
 menthadienyl formate
para-menthane-3,8-diol
homomenthyl acetate
laevo-menthyl acetate
 piperitone
 rosemary absolute

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

natural occurrence in :
data pagecalamintha nepeta (l.) savi subsp. glandulosa oil greece @ 1.00%
data pagefoeniculum vulgare piperitum oil @ 14.10%
data pagelippia alnifolia schau. leaf oil brazil @ 44.60%
data pagementha longifolia (l.) huds. oil jordan @ 83.70%
data pageplectranthus glandulosus hook f. leaf oil cameroon @ 10.90%



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