N-methyl ionone
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IUPAC name :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
InChIKey :VPKMGDRERYMTJX-UHFFFAOYAT
SMILES :CCC(=O)\C=C\C1C(=CCCC1(C)C)C
cas number :1335-46-2
(EINECS) number :215-635-0
fl. number :07.218
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 : 206.3238800 (IUPAC)
formula :C14 H22 O
NMR Predictor :Predict
 
 
export tariff code :2914.23.0000
fda reg :unspecified

Suppliers :
Firmenich :Iralia® Total
≥90%
Odor:  A very floral methylionone note typical of the IRALIA® family with a strong orris, violet character. A more woody and less refined floral aspect than IRALIA®
This cost effective quality of our well-known IRALIA® has proved its advantage over other methylionones by its more complex character combined with a better substantivity on cloth as well as a better stability in certain difficult media.
Firmenich :Iralia®
≥95%
Odor:  The most floral and rich of all qualities of methylionones with a strong orris, violet character and a slight fruity note
An indispensable element in all high quality perfumes whatever their tonality: flowery, woody, chypre, oriental, etc. It gives them radiance and great elegance. IRALIA® is used at a concentration varying from 1 to 10% and, in certain cases, up to 20-25%.
Givaudan :Isoraldeine® 70
Odor:  Flowery, Orris, Woody, Fruity
Isoraldeine 70 has a fine, rich violet note, but its character is more orris-like and dry than Isoraldeine 95. It is often used in flowery, woody,spicy and oriental accords. Isoraldeine 70 brings volume and diffusion to compounds, as well as a skin care effect and good overall substantivity.
John D. Walsh :Methyl Ionone Extra
John D. Walsh :Methyl Ionone Regular
Vigon :Iralia
Odor:  A very floral methylionone note typical of the IRALIA® family with a strong orris, violet character. A more woody and less refined floral aspect than IRALIA®

organoleptics :
odor type :floral
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  
orris violet powdery woody
Luebke, William tgsc, (1983)
odor sample from :International Flavors & Fragrances Inc.
substantivity :184 hour(s) at 100.00 %

properties :
appearence :yellow clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.92400 to 0.93200 @ 25.00 °C.
pounds per gallon - calc. : 7.689 to 7.755
refractive index :1.49800 to 1.50300 @ 20.00 °C.
flash point :not determined
logP (o/w) : 4.30

safety :
most important hazard(s) :Xi - Irritant
  R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :flavor and fragrance agents
 
IFRA critical Effect :Sensitization
IFRA other specification :<= 2% Pseudomethylionone
Fragrance usage is IFRA 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 :
See Note (1)
2.00 % (1)Category 2 : 2.60 %
Category 3 : 10.60 %Category 4 : 31.70 %
Category 5 : 16.70 %Category 6 :
See Note (1)
50.70 % (1)
Category 7 : 5.30 %Category 8 : 2.00 %
Category 9 : 5.00 %Category 10 : 2.50 %
Category 11 :See Note (2)
 Notes :
 

For this material, for pragmatic reasons, restrictive levels allowed by the QRA for certain categories but actually being higher than those already in place before applying the QRA, will temporarily not be implemented until the end of a 5 year monitoring phase. At the end of the 5 years the position will be reevaluated again.

 

(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).

 

(2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product.

use level in formulae for use in cosmetics :
  9.8200 %
dermal systemic exposure in cosmetic products :
 0.25 mg/kg/day  (IFRA, 2001)

safety references :
EPI System :view
IFRA :IFRA - ( Found under : Methyl ionone, mixed isomers )
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3082
 
WGK Germany :2
 
 
 
 
1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one
(EINECS) number :215-635-0
chemidplus :001335462
EPA Substance Registry Services :1335-46-2

references :
 
1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one
fl. number :07.218
NIST Chemistry WebBook :1074655180
pubchem :774195

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
 cyclocitrylidene methyl ethyl ketone
 methyl cyclocitrilydene acetone
N-methyl ionone
 methyl alpha-ionone isomers
1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one
5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-4-penten-3-one

soluble in :
 alcohol

insoluble in :
 water

potential blenders :    note
 abies alba mill oilFL/FR
 agarwood oilFR
 algae absoluteFR
 allspice oilFL/FR
 allyl amyl glycolateFR
 allyl iononeFL/FR
 amber carbinolFR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
para-anisaldehydeFL/FR
para-anisyl alcoholFL/FR
 anthocephalus cadamba oil 
 basil oilFL/FR
 beeswax absoluteFL/FR
 benzoin resinoidFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl benzoateFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 bois de rose oilFL/FR
isobutyl cinnamateFL/FR
isobutyl quinolineFR
isobutyl salicylateFL/FR
 cadamba oil 
 calamus oilFR
 callitropsis oil 
 caramel furanoneFL
 cardamom seed oilFL/FR
 carrot seed oilFL/FR
 cassia bark oilFL/FR
 cassie absoluteFL/FR
 cedarwood oil epoxidizedFR
 cedarwood oils 
 cedrela wood oilFR
 chloranthus spicatus absolute 
 cinnamyl alcoholFL/FR
 cistus oilFL/FR
 citronellolFL/FR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 copaiba balsam oilFL/FR
 coriander seed oilFL/FR
 costus root oilFL
 coumarinFR
para-cresyl caprylateFL/FR
 cuir hf 
 currant bud absolute blackFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
alpha-damasconeFL/FR
beta-damasconeFL/FR
 davana oilFL/FR
 decanolFL/FR
9-decen-1-olFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl hydroquinoneFL/FR
 elecampane absoluteFL
 estragonFL
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
 ethyl maltolFL/FR
 ethyl phenyl acetateFL/FR
 ethyl vanillinFL/FR
 eugenolFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 geraniolFL/FR
 geranium oilFL/FR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 hay absoluteFR
 heliotropinFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 ionones 
 juniper berry oilFL/FR
 labdanum resinoidFR
 leerallFR
 lilyallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 marine pyridineFR
 methyl acetophenoneFL/FR
 methyl anthranilateFL/FR
 methyl cedryl ketoneFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl heptine carbonateFL/FR
 methyl ionones 
 methyl isoeugenolFL/FR
 methyl octine carbonateFL/FR
 mimosa absoluteFL/FR
 muguet carboxaldehydeFR
 musks 
 myrrh oilFL/FR
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 nonanalFL/FR
 nonanolFL/FR
 nutmeg oilFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 olibanum oilFL/FR
 opoponax oilFL/FR
 orris absoluteFL/FR
 orris pyridineFR
 oxysesquineFR
 patchouli ethanoneFR
 patchouli oilFL/FR
 peony alcoholFR
 petitgrain oilFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl anthranilateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
3-phenyl propyl alcoholFL/FR
 pimento berry oilFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 rose oxides 
 rosemary oilFL/FR
 sandalwood oilFL/FR
 santallFR
 strawberry glycidate 1FL/FR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 tobacco dodecaneFR
 tonka bean absoluteFR
 turmeric root oilFL/FR
gamma-undecalactoneFL/FR
10-undecen-1-alFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 verymossFR
 vetiver oilFL/FR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 woody acetateFR
 woody amyleneFR
 ylang ylang oilFL/FR

potential uses :
 amber
 baby powder
 balsam
 bayberry
 beeswax cire d'abeille
 berry
 blackberry
 blueberry
 bouquet
 broom genet genista
 carnation dianthus oeillet
 cassia
 cassie acacia farnesiana
 cedar
 cherry
 cherry blossom
 chypre
 cranberry
 cyclamen
 diffusion
 fern fougere
 fetes
 floral
 fruit
 gardenia
 ginger white ginger
 heather
 honey miel
 jasmin
 jonquil narcissus jonquilla
 leather
 leather russian leather
 maja
 millefleurs
 mimosa wattle
 moss
 muguet lily of the valley
 musk
 oakmoss mousse de chene
 oriental
 orris iris
 patchouli
 petunia
 pine needle
 potpourri
 powder
 prune
 raspberry
 rose
 rose tea rose
 sandalwood
 spice
 strawberry
 tutti frutti
 violet
 wallflower giroflee
 wistaria wisteria glycine
 woody

natural occurrence in :    note
 not found in nature  

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