alpha-isomethyl ionone (50% min.)

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Notes :

Blends well with woody notes. Gives good body.

Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).

IUPAC name :

(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one

InChI :

InChI=1/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+

InChIKey :

JRJBVWJSTHECJK-PKNBQFBNBZ

SMILES :

CC1=CCCC(C1\C=C(/C)\C(=O)C)(C)C

cas number :	127-51-5
% from :	50.00% to 59.00%
(EINECS) number :	204-846-3
fema number :	2714
coe number :	169
jecfa number :	404
fl. number :	07.036
molar refractivity :	66.18 ± 0.3 cm3
parachor :	528.4 ± 6.0 cm3
index of refraction :	1.508 ± 0.02
surface tension :	32.1 ± 3.0 dyne/cm
density :	0.929 ± 0.06 g/cm3
polarizability :	26.23 ± 0.5 10-24cm3
XlogP :	4.20
molecular weight :	206.3238800
formula :	C14 H22 O
NMR Predictor :	Predict

IUPAC name :

(E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one

InChI :

InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+

InChIKey :

VPKMGDRERYMTJX-CMDGGOBGBY

SMILES :

CCC(=O)\C=C\C1C(=CCCC1(C)C)C

cas number :	127-42-4
% from :	14.00% to 31.00%
(EINECS) number :	204-842-1
fema number :	2711
coe number :	143
jecfa number :	398
fl. number :	07.009
molar refractivity :	66.34 ± 0.3 cm3
parachor :	532.1 ± 6.0 cm3
index of refraction :	1.509 ± 0.02
surface tension :	32.9 ± 3.0 dyne/cm
density :	0.928 ± 0.06 g/cm3
polarizability :	26.29 ± 0.5 10-24cm3
XlogP :	4.30
molecular weight :	194.3131800
formula :	C13 H22 O
BioActivity Analysis :	17389494
NMR Predictor :	Predict

IUPAC name :

(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one

InChI :

InChI=1/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3/b11-9+

InChIKey :

NSSHGPBKKVJJMM-PKNBQFBNBV

SMILES :

CC1=C(C(CCC1)(C)C)\C=C(/C)\C(=O)C

cas number :	79-89-0
% from :	3.00% to 7.00%
(EINECS) number :	201-231-1
fema number :	4151
coe number :	650
fl. number :	07.041
molar refractivity :	66.17 ± 0.3 cm3
parachor :	526.7 ± 6.0 cm3
index of refraction :	1.513 ± 0.02
surface tension :	32.8 ± 3.0 dyne/cm
density :	0.937 ± 0.06 g/cm3
polarizability :	26.23± 0.5 10-24cm3
XlogP :	3.70
molecular weight :	206.3238800
formula :	C14 H22 O
NMR Predictor :	Predict

IUPAC name :

(E)-1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-one

InChI :

InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+

InChIKey :

LMWNGLDCJDIIBR-CMDGGOBGBW

SMILES :

CCC(=O)\C=C\C1=C(CCCC1(C)C)C

cas number :	63429-28-7
% from :	1.00% to 4.00%
(EINECS) number :	264-140-6
fema number :	2712
molar refractivity :	66.33 ± 0.3 cm3
parachor :	530.4 ± 6.0 cm3
index of refraction :	1.514 ± 0.02
surface tension :	33.7 ± 3.0 dyne/cm
density :	0.937 ± 0.06 g/cm3
polarizability :	26.29 ± 0.5 10-24cm3
XlogP :	3.80
molecular weight :	206.3238800
formula :	C14 H22 O
NMR Predictor :	Predict

IUPAC name :

(4E,6E)-7,11-dimethyldodeca-4,6,10-trien-3-one

InChI :

InChI=1/C14H22O/c1-5-14(15)11-7-10-13(4)9-6-8-12(2)3/h7-8,10-11H,5-6,9H2,1-4H3/b11-7+,13-10+

InChIKey :

SPHLZZZXIWUZNM-JPTKLRQTBD

SMILES :

CCC(=O)\C=C\C=C(/C)\CCC=C(C)C

cas number :	26651-96-7
% from :	0.10% to 2.00%
(EINECS) number :	247-878-3
molar refractivity :	66.79 ± 0.3 cm3
parachor :	548.2 ± 4.0 cm3
index of refraction :	1.475 ± 0.02
surface tension :	28.5 ± 3.0 dyne/cm
density :	0.869 ± 0.06 g/cm3
polarizability :	26.48 ± 0.5 10-24cm3
XlogP :	3.80
molecular weight :	206.3238800
formula :	C14 H22 O
NMR Predictor :	Predict

export tariff code :

2914.23.0000

fda reg :

Suppliers :

Methyl Ionone Gamma A
Odor: Woody, tobacco, floral (orris and violet). Powdery tone.

IFF :

Methyl Ionone Gamma Pure
Odor: Woody, tobacco, floral (orris and violet). Powdery tone.

John D. Walsh :

Methyl Ionone Gamma Coeur

John D. Walsh :

Methyl Ionone Gamma Extra

John D. Walsh :

Methyl Ionone Gamma Pure

John D. Walsh :

Methyl Ionone Gamma

Penta :

gamma-methyl ionone regular

Penta :

irisantheme

Penta :

methyl ionone gamma extra

organoleptics :

odor type :

floral

odor strength :

medium ,
recommend smelling in a 10.00 % solution or less

odor description :¹
at 10.00 % in dipropylene glycol.

violet sweet orris powdery floral woody

odor sample from :

Union Camp Corporation

substantivity :

124 Hour(s)

properties :

appearence :

colorless to yellow clear oily liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.92500 to 0.93500 @ 25.00 °C.

pounds per gallon - calc. :

7.697 to 7.780

refractive index :

1.49650 to 1.50400 @ 20.00 °C.

boiling point :

76.00 °C. @ 0.30 mm Hg

boiling point :

231.00 to 232.00 °C. @ 760.00 mm Hg

vapor pressure :

0.00600 mm/Hg @ 20.00 °C.

vapor density :

7.0 ( Air = 1 )

flash point :

> 212.00 °F. TCC ( > 100.00 °C. )

logP (o/w) :

4.41

shelf life :

24.00 month(s) or longer if stored properly.

storage :

store in cool, dry place in tightly sealed containers, protected from heat and light.

safety :

most important hazard(s) :

Xi N - Irritant, Dangerous for the environment.

Oral Toxicity(LD50) :

Oral-Rat >5.00 gm/kg

Dermal Toxicity(LD50) :

Skin-Rabbit >5.00 gm/kg

Inhalation Toxicity(LC50) :

Not determined

safety in use :

IFRA critical Effect :

Sensitization

IFRA other specification :

<= 2% Pseudomethylionone

Fragrance usage is RESTRICTED to :

Please review all IFRA documents for complete information. (QRA)

IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)

Category 1 :

2.00 % (1)

Category 2 :

2.60 %

Category 3 :

10.70 %

Category 4 :

32.10 %

Category 5 :

16.90 %

Category 6 :

51.40 % (1)

Category 7 :

5.40 %

Category 8 :

2.00 %

Category 9 :

5.00 %

Category 10 :

2.50 %

Category 11 :

See Note

(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org).

Note : Category 11 includes all non-skin contact or incidental skin contact products. Due to negligible skin contact, the concentration of a fragrance ingredient should not exceed the usual concentration of the fragrance compound in the finished product.

For example, hypothetically if the usual concentration of a fragrance compound in the final product, for example a candle, is at 5%, then any individual fragrance ingredient (in this case alpha-isomethyl ionone (50% min.)) must not exceed 5% in the candle.

recommendation for alpha-isomethyl ionone (50% min.) usage levels up to :

25.0000 ppm in the flavor.

safety references :

msds :

msds

EPI System :

view

IFRA :

IFRA - ( Found under : Pseudomethylionones )

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

SCCNFP :

opinion

WGK Germany :

(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one

(EINECS) number :

204-846-3

chemidplus :

000127515

EPA Substance Registry Services :

127-51-5

(E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one

(EINECS) number :

204-842-1

chemidplus :

000127424

EPA Substance Registry Services :

127-42-4

(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one

(EINECS) number :

201-231-1

chemidplus :

000079890

EPA Substance Registry Services :

79-89-0

(E)-1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-one

(EINECS) number :

264-140-6

chemidplus :

063429287

EPA Substance Registry Services :

63429-28-7

(4E,6E)-7,11-dimethyldodeca-4,6,10-trien-3-one

(EINECS) number :

247-878-3

chemidplus :

26651-96-7

EPA Substance Registry Services :

26651-96-7

references :

(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one

fl. number :

07.036

jecfa number :

404

NIST Chemistry WebBook :

2434520876

pubchem :

197309

(E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one

fl. number :

07.009

jecfa number :

398

NIST Chemistry WebBook :

1074655180

pubchem :

197307

(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one

fl. number :

07.041

NIST Chemistry WebBook :

2309173677

pubchem :

675242

(E)-1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-one

NIST Chemistry WebBook :

2810320773

pubchem :

3748531

(4E,6E)-7,11-dimethyldodeca-4,6,10-trien-3-one

pubchem :

48419733

Cosmetics :

Cosmetic uses :

perfuming agents
skin conditioning

other :

reference :

Luebke, William tgsc, (1985)¹

CosIng :

cosmetic data

VCF-Online:

VCF Volatile Compounds in Food

C of A

synonyms :
	gammanolene
	iraldeine gamma
	irisantheme
alpha-iso	methyl ionone
iso-alpha-	methyl ionone
gamma-	methyl ionone (so called)
	methyl ionone gamma A
	methyl ionone gamma supreme
(E)-3-	methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one
3-	methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
	raldeine gamma
4,2,6,6-	trimethyl-2-cyclohexen-1-yl-3-methyl-3-buten-2-one
soluble in :
	alcohol
	dipropylene glycol
	paraffin oil
insoluble in :
	water
stability :
	acid cleaner
	alcoholic lotion
	deo stick
	detergent perborate
	fabric softener
	hair spray
	hard surface cleaner
	liquid detergent
	non-discoloring in most media
	shampoo
	soap
(odor and/or flavor) blends with :
	animal carbolactone
	calamus oil
	callitropsis oil
	cardamom seed oil
	carrot seed oil
	cassie absolute
	cedarwood oil
	cedrela wood oil
	chloranthus spicatus absolute
	clary sage oil
	copaiba balsam oil
	costus root oil
	costus valerolactone
	dihydrojasmone
	elecampane absolute
	estragon
iso	eugenyl acetate
	heliotropyl acetone
	hexyl 2-methyl butyrate
	hydroxycitronellal
	juniper berry oil
	labdanum resinoid
	leather notes
	methyl cedryl ketone
	methyl ionones
	mimosa absolute
	nerolidol
	olibanum oil
	opoponax oil
	orris absolute
	oxysesquine
	phenethyl anthranilate
	pimento berry oil
	rosemary oil
	sandalwood oil
	turmeric root oil
	watermelon ketone
	woody notes
	woody violet notes
(odor and/or flavor) used in :
	anais anais
	beeswax cire d'abeille
	berry
	blueberry
	broom genet genista
	cassia
	charlie
	chloe
	chypre
	cranberry
	cyclamen
	diffusion
	estee
	fidji
	floral
	fruit
	l'air du temps
	l'heure bleue
	l'origan
	leather
	leather russian leather
	mimosa wattle
	moss
	norell
	oakmoss mousse de chene
	oriental
	paris
	patchouli
	pine needle
	prune
	raspberry
	rose
	strawberry
	vika cologne
	violet
natural occurrence in :
	found in nature

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