piperitone

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IUPAC name :

3-methyl-6-propan-2-ylcyclohex-2-en-1-one

InChI :

InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3

InChIKey :

YSTPAHQEHQSRJD-UHFFFAOYAC

SMILES :

CC1=CC(=O)C(CC1)C(C)C

(EINECS) number :	201-942-7
cas number :	89-81-6
beilstein number :	1907772
fema number :	2052
coe number :	2052
fl. number :	07.175
molar refractivity :	45.97 ± 0.3 cm3
parachor :	385.9 ± 6.0 cm3
index of refraction :	1.464 ± 0.02
surface tension :	28.9 ± 3.0 dyne/cm
density :	0.915 ± 0.06 g/cm3
polarizability :	18.22 ± 0.5 10-24cm3
xlogp :	2.20
molecular weight :	152.2334400
formula :	C10 H16 O
BioActivity Analysis :	137451

fda reg :

unspecified

h. number :

unspecified

organoleptics :

odor type :

herbal

odor strength :

high ,
recommend smelling in a 10.00 % solution or less

odor description :
at 10.00 % in dipropylene glycol.

herbal minty camphor

substantivity :

12 hour(s) at 100.00 %

properties :

appearence :

colorless to pale yellow clear liquid

assay :

90.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.92900 - 0.93200 @ 25.00 °C.

pounds per gallon - calc. :

7.730 to 7.755

refractive index :

1.48000 - 1.48800 @ 20.00 °C.

optical rotation :

-40.00 to -49.00

boiling point :

233.00 °C. @ 760.00 mm Hg

logp :

2.85

safety :

most important hazard(s) :

Xi - Irritant

Oral Toxicity(LD50) :

Oral-Rat 2450.00 mg/kg

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

208.00 °F. TCC ( 97.78 °C. )

recommendation for piperitone usage levels up to :

3.0000 % in the fragrance concentrate.

safety links :

(EINECS) number :

chemidplus :

epa-srs :

dtp/nci :

other :

references :

pubchem :

150002

NIST Chemistry WebBook :

2054472341

synonyms :
3-	carvomenthenone
para-	menth-1-en-3-one
1-	methyl-4-isopropyl-1-cyclohexen-3-one
3-	methyl-6-(1-methyl ethyl)-2-cyclohexen-1-one
	piperitone
6-iso	propyl-3-methyl cyclohex-2-enone
soluble in :
	alcohol
	water, very slightly
insoluble in :
	water
stability :
	detergent
	fabric softener
	soap
(odor and/or flavor) blends with :
	camphor oil
	eucalyptus oil
(odor and/or flavor) used in :
	camphor
	eucalyptus
	herbal
	mint
natural occurrence in :
data page	achillea tenuifolia lam. flower oil iran @ 2.60%
data page	agathosma crenulata oil @ trace%
data page	artemisia deserti krasch. oil iran @ 51.80%
data page	artemisia diffusa krasch. ex poljak oil iran @ 6.50%
data page	backhousia citriodora f. muell. leaf oil @ 0.20%
data page	boronia absolute @ 0.01%
data page	buchu leaf oil @ 0.06%
data page	calamintha nepeta (l.) savi subsp. glandulosa oil greece @ 7.30%
data page	camel grass oil @ 59.10%
data page	cinnamon leaf oil ceylon @ 0.07%
data page	cistus oil @ 0.8%
data page	cornmint oil india @ 0.45%
data page	crithmum maritimum l. oil turkey @ <0.10%
data page	cymbopogon citratus (dc.) stapf. oil cuba @ <0.10%
data page	eucalyptus camaldulensis dehn. leaf oil jerusalem @ 1.30%
	eucalyptus dives schauer oil
data page	eucalyptus globulus bud oil @ trace%
data page	eucalyptus globulus fruit oil @ trace%
data page	geranium petiole oil india @ 0.08%
data page	geranium stem oil india @ 0.10%
data page	kewda oil @ 0.21-0.25%
data page	laurel leaf oil turkey @ trace%
data page	lemon oil california @ 0.004%
data page	lemongrass oil @ 0.06%
data page	lime oil distilled mexico @ 0.01%
data page	lime oil distilled peru @ trace%
data page	marjoram oil sweet cyprus @ 0.70-1.30%
data page	mastic fruit oil @ 3.75%
data page	mastic leaf oil @ 0.06%
data page	pennyroyal oil cuba @ 1.02%
data page	pennyroyal oil spain @ 0.50%
data page	peppermint oil america @ 0.46%
data page	peppermint oil CO2 extract @ 0.60%
data page	peppermint oil mongolia @ 1.32%
data page	plectranthus glandulosus hook f. leaf oil cameroon @ trace%
data page	protium heptaphyllum (aubl.) march resin oil brazil @ 0.20%
data page	rosemary oil turkey @ 0.76%
data page	stachys recta l. oil serbia @ 0.10%
data page	yuzu peel oil c.p. @ trace%
data page	yuzu peel oil CO2 extract @ trace-0.07%

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