EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

alpha-isomethyl ionone (60% min.)

Supplier Sponsors

CAS Number: 127-51-5Picture of molecule3D/inchi
% from:60.00% to 69.00%
ECHA EINECS - REACH Pre-Reg:204-846-3
CoE Number:169
XlogP3-AA:3.30 (est)
Molecular Weight:206.32854000
Formula:C14 H22 O
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:(E)-alpha-methyl ionone (74-80%) 15.00% to 20.00%
 beta-isomethyl ionone 0.10% to 5.00%
 (E)-beta-methyl ionone 2.00% to 4.00%
 pseudomethyl ionone 0.10% to 2.00%
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:404 alpha-iso-methylionone (60% min.)
FLAVIS Number:07.036 (Old)
FEMA Number:2714 alpha-iso-methylionone (60% min.)
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):127-51-5 ; ALPHA-ISOMETHYLIONONE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 60.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.92500 to 0.92900 @ 25.00 °C.
Pounds per Gallon - (est).: 7.697 to 7.730
Refractive Index:1.50000 to 1.50200 @ 20.00 °C.
Boiling Point: 93.00 °C. @ 3.10 mm Hg
Boiling Point: 232.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.003000 mmHg @ 25.00 °C. (est)
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 4.079 (est)
Soluble in:
 alcohol
 water, 2.98 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:124 hour(s) at 100.00 %
woody violet floral
Odor Description:at 10.00 % in dipropylene glycol. woody violet floral
Luebke, William tgsc, (1985)
Odor sample from: Union Camp Corporation
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
skin conditioning
 
Suppliers:
Vigon International
Isoraldeine 70 (Methyl Ionone Gamma 63%)
Odor: FLORAL, WOODY
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
Union Camp Corporation

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Union Camp Corporation

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
IFRA Critical Effect: Dermal sensitization
IFRA Other Specification: <= 2% Pseudomethylionone
IFRA: View Standard
Fragrance usage is IFRA RESTRICTED. View Standard for complete information.
Please review all IFRA documents for complete information.
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:  2.59 %
Category 3:  10.56 %
Category 4:  31.67 %
Category 5:  16.67 %
Category 6:  50.72 % (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:
  13.0000 %
Dermal Systemic Exposure in Cosmetic Products:
 0.33 mg/kg/day (IFRA, 2001)
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 4.70 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (μg/capita/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
 average usual ppmaverage maximum ppm
baked goods: -4.30000
beverages(nonalcoholic): -0.97000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -0.80000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.98000
fruit ices: -0.98000
gelatins / puddings: -0.05000
granulated sugar: --
gravies: --
hard candy: -4.90000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 213: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19
View page or View pdf

Flavouring Group Evaluation 210: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.4 of FGE.19[1]
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 210 Revision 2 (FGE.210Rev2): Consideration of genotoxic potential for a,-unsaturated alicyclic ketones and precursors from chemical subgroup 2.4 of FGE.19
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):127-51-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5372174
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WGK Germany:2
(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one (60% min.)
Chemidplus:0000127515
 
References:
 (E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one (60% min.)
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:127-51-5
Pubchem (cid):5372174
Pubchem (sid):135016869
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB31738
YMDB (Yeast Metabolome Database):YMDB01634
Export Tariff Code:2914.23.0000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
amber
cistus ladaniferus resinoid
FR
animal
animal carbolactone
FR
costus valerolactone
FR
balsamic
copaiba balsam oil
FL/FR
guaiacyl phenyl acetate
FL/FR
opoponax oil (balsamodendron kafal)
FL/FR
berry
sec-
butyl ethyl ether
FL/FR
citrus
citronellone
FR
citrus woody floral fragrance
FR
myrcenyl acetate
FL/FR
earthy
(Z)-
linalool oxide (furanoid)
FL/FR
floral
amyl cyclopentenone
CS
boronia absolute
FL/FR
cassie absolute
FL/FR
delta-
damascone
FL/FR
dihydro-alpha-ionone
FL/FR
dihydrojasmone
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
4-
dimethyl ionone
FR
elder flower wood specialty
FR
heliotropyl acetone
FL/FR
hydroxycitronellal
FL/FR
(E)-beta-
ionone
FL/FR
alpha-
ionone
FL/FR
alpha-
ionyl acetate
FR
iris specialty
FR
alpha-
irone
FL/FR
lavandula angustifolia flower oil
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
laevo-
linalool
FL/FR
linalool oxide
FL/FR
melaleuca ericifolia leaf oil
FR
alpha-iso
methyl ionone (70% min.)
FL/FR
alpha-iso
methyl ionone (80% min.)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
methyl ionyl acetate
FL/FR
2-
methyl naphthalene
FL/FR
mimosa absolute france
FL/FR
mimosa concrete france
FL/FR
mimosa tenuiflora leaf extract
FL/FR
nerolidol
FL/FR
bitter
orangeflower concrete
FR
orris butenone
FR
orris rhizome absolute (iris germanica)
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
orris rhizome absolute replacer
FR
orris rhizome oil (iris germanica)
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
petitgrain cedrat oil
FL/FR
petitgrain oil terpenes
FR
phenethyl anthranilate
FL/FR
phenethyl hexanoate
FL/FR
rose concrete (rosa centifolia)
FR
styralyl formate
FL/FR
tetrahydroionol
FR
vetiver pentanone
FR
fruity
1,4-
diisopropyl-6,8-dioxabicyclo(3.2.1)octane
FR
beta-
ionone epoxide
FL/FR
linalool oxide acetates
FL/FR
octyl propionate
FL/FR
tropical ionone
FL/FR
green
iso
green methanoindene
FR
(E)-2-
hexen-1-yl salicylate
FR
hexyl 2-methyl butyrate
FL/FR
para-
methyl hydratropaldehyde
FL/FR
herbal
acorus calamus root oil
FR
calendula officinalis flower oil CO2 extract
FR
clary sage oil france
FL/FR
daucus carota fruit oil
FL/FR
freesia heptanol
FL/FR
immortelle flower oil
FL/FR
marigold pot flower oil
FL/FR
rosemary oil spain
FL/FR
melon
watermelon ketone
FR
mossy
moss specialty
FR
musk
amyris specialty
FR
ethylene brassylate
FL/FR
powdery
(E)-alpha-
methyl ionone (44-50%)
FL/FR
rummy
rum extract
FL/FR
spicy
allspice berry oil
FL/FR
elettaria cardamomum seed oil
FL/FR
iso
eugenol
FL/FR
iso
eugenyl acetate
FL/FR
safrole
CS
white
sassafras oil
FL/FR
spicy carbonate
FR
turmeric root oil china
FL/FR
terpenic
frankincense oil
FL/FR
juniperus communis fruit oil
FL/FR
alpha-
terpineol
FL/FR
woody
anthocephalus cadamba oil
FR
bois de rose leaf oil brazil
FL/FR
cabreuva wood oil
FR
cedarwood oil virginia
FR
cedrela wood oil
FR
chloranthus spicatus absolute
FR
convolvulus scoparius wood oil
FR
2-
decalinyl acetate
FR
dihydro-beta-ionol
FL/FR
homalomena rubescens root oil
FR
iso
longifolene epoxide
FR
methyl cedryl ketone
FL/FR
3-
methyl pentyl angelate
FR
sandal octanol
FR
sandalwood oil
FL/FR
santalyl acetate
FL/FR
1-(5',5',6'-
trimethyl bicyclo(2.2.1)hept-2'-yl) propan-2-one
FR
zdravetz absolute
FR
zdravetz oil
FL/FR
For Flavor
No flavor group found for these
sec-
butyl ethyl ether
FL/FR
alpha-
campholene acetate
FL
dihydro-beta-ionol
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
elecampane root absolute
FL
beta-
ionone epoxide
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
linalool oxide acetates
FL/FR
marigold pot flower oil
FL/FR
(E)-alpha-
methyl ionone (44-50%)
FL/FR
white
sassafras oil
FL/FR
styralyl formate
FL/FR
zdravetz oil
FL/FR
balsamic
balsamic
copaiba balsam oil
FL/FR
opoponax oil (balsamodendron kafal)
FL/FR
berry
dihydro-alpha-ionone
FL/FR
heliotropyl acetone
FL/FR
citrus
freesia heptanol
FL/FR
laevo-
linalool
FL/FR
myrcenyl acetate
FL/FR
petitgrain cedrat oil
FL/FR
alpha-
terpineol
FL/FR
estery
octyl propionate
FL/FR
floral
bois de rose leaf oil brazil
FL/FR
dihydrojasmone
FL/FR
alpha-
ionone
FL/FR
alpha-iso
methyl ionone (70% min.)
FL/FR
alpha-iso
methyl ionone (80% min.)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
mimosa concrete france
FL/FR
mimosa tenuiflora leaf extract
FL/FR
orris rhizome oil (iris germanica)
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
phenethyl anthranilate
FL/FR
tropical ionone
FL/FR
fruity
boronia absolute
FL/FR
green
hexyl 2-methyl butyrate
FL/FR
linalool oxide
FL/FR
para-
methyl hydratropaldehyde
FL/FR
nerolidol
FL/FR
herbal
clary sage oil france
FL/FR
daucus carota fruit oil
FL/FR
immortelle flower oil
FL/FR
lavandula angustifolia flower oil
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
rosemary oil spain
FL/FR
musk
ethylene brassylate
FL/FR
oily
2-
methyl naphthalene
FL/FR
orris
costus root oil
FL
phenolic
guaiacyl phenyl acetate
FL/FR
rummy
rum extract
FL/FR
spicy
allspice berry oil
FL/FR
cassie absolute
FL/FR
elettaria cardamomum seed oil
FL/FR
iso
eugenol
FL/FR
iso
eugenyl acetate
FL/FR
turmeric root oil china
FL/FR
sweet
orris rhizome absolute (iris germanica)
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
terpenic
juniperus communis fruit oil
FL/FR
waxy
hydroxycitronellal
FL/FR
mimosa absolute france
FL/FR
phenethyl hexanoate
FL/FR
woody
delta-
damascone
FL/FR
frankincense oil
FL/FR
(E)-beta-
ionone
FL/FR
alpha-
irone
FL/FR
methyl cedryl ketone
FL/FR
methyl ionyl acetate
FL/FR
sandalwood oil
FL/FR
santalyl acetate
FL/FR
 
Potential Uses:
 anais anais
FRbeeswax absolute replacer
FRberry
FRblueberry
FRcassia
 charlie
 chloe
FRchypre
FRcranberry
FRcyclamen
 diffusion
 estee
 fidji
FRfir needle oil replacer
FRfloral
FRfruit
FRgenet
 l'air du temps
 l'heure bleue
 l'origan
FRleather
FRleather russian leather
FRmimosa
FRmoss
 norell
FRoriental
 paris
FRpatchouli
FRprune
FRraspberry
FRrose
FRstrawberry
 vika cologne
FRviolet
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one (60% min.)
 

Articles:

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Notes:
Blends well with woody notes. Gives good body.
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