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 :172.515

Suppliers :
Berje :Methyl Ionone Gamma
Fleurchem :ionone, gamma methyl
IFF :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 :No
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 :2
 
 
 
 (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-isomethyl 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
isoeugenyl 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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