piperitenone
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IUPAC name :2-methyl-6-propan-2-ylidenecyclohex-2-en-1-one
InChI :InChI=1/C10H14O/c1-7(2)9-6-4-5-8(3)10(9)11/h5H,4,6H2,1-3H3
InChIKey :IJABTABLCUQICW-UHFFFAOYAQ
SMILES :CC1=CCCC(=C(C)C)C1=O
cas number :491-09-8
(EINECS) number :207-729-5
fema number :3560
coe number :11189
jecfa number :757
fl. number :07.127
molar refractivity :45.58 ± 0.3 cm3
parachor :370.1 ± 6.0 cm3
index of refraction :1.495 ± 0.02
surface tension :31.6 ± 3.0 dyne/cm
density :0.962 ± 0.06 g/cm3
polarizability :18.07 ± 0.5 10-24cm3
XlogP : 1.60
molecular weight : 150.2175600
formula :C10 H14 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515
Suppliers :
Nippon Terpene :Piperitenone
80% up
organoleptics :
odor type :minty
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  		sharp minty phenolic
properties :
appearence :yellow to amber clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.97600 to 0.98300 @ 25.00 °C.
pounds per gallon - calc. : 8.121 to 8.180
refractive index :1.47200 to 1.47800 @ 20.00 °C.
boiling point : 106.00 to 107.00 °C. @ 10.00 mm Hg
boiling point : 92.00 °C. @ 1.80 mm Hg
flash point : 200.00  °F.  TCC  ( 93.33 °C. )
logP (o/w) : 2.87
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) :0.01 (μg/capita/day)
 
recommendation for piperitenone usage levels up to :
  0.5000 % in the fragrance concentrate.
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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 2-methyl-6-propan-2-ylidenecyclohex-2-en-1-one
(EINECS) number :207-729-5
chemidplus :000491098
EPA Substance Registry Services :491-09-8
references :
 2-methyl-6-propan-2-ylidenecyclohex-2-en-1-one
fl. number :07.127
jecfa number :757
pubchem :197380
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
para-menth-1,4(8)-dien-3-one
para-mentha-1,4(8)-dien-3-one
1,4(8)-para-menthadien-3-one
1-methyl-4-isopropylidene-1-cyclohexen-3-one
3-methyl-6-(1-methyl ethylidene) cyclohex-2-en-1-one
2-methyl-6-propan-2-ylidenecyclohex-2-en-1-one
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
dextro-camphor
laevo-carveol
laevo-carvone
 dihydrocarveol
(Z+E)-para-1(7)8-menthadien-2-yl acetate
dextro,laevo-menthol
laevo-menthol
 pennyroyal oil
 peppermint cyclohexanone
 peppermint oil terpeneless america
dextro-piperitone
 pulegone
isopulegone
 spearmint absolute
 spearmint oil
 spearmint oil terpeneless
 tetrahydrocarvone
(odor and/or flavor) used in :
 herbal
 mint
 pennyroyal
natural occurrence in :
data pagecalamintha nepeta (l.) savi subsp. glandulosa oil greece @ 7.00%
data pagefoeniculum vulgare piperitum oil @ 0.80%
data pagelemon verbena oil turkey @ 0.07%
data pagelippia alnifolia schau. leaf oil brazil @ 1.70%
data pagemastic fruit oil @ 2.30%
data pagementha longifolia (l.) huds. oil jordan @ 0.20%
pennyroyal
data pagepennyroyal oil @ 1.80%
data pagepennyroyal oil cuba @ 2.39%
data pageplectranthus glandulosus hook f. leaf oil cameroon @ 1.30%
data pagerosemary oil egypt @ 0.27%
data pagesatureja viminea l. oil costa rica @ 0.70%



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