(E)-alpha-methyl ionone (50-60%)
 
Notes:
None found
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CAS Number: 127-42-4Picture of molecule3D/inchi
Other(deleted CASRN): 1322-70-9
% from: 50.00% to 60.00%
ECHA EINECS - REACH Pre-Reg: 204-842-1
CoE Number: 143
XlogP3-AA: 3.40 (est)
Molecular Weight: 194.31754000
Formula: C13 H22 O
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Also(can) Contains: (E)-beta-methyl ionone 12.00% to 16.00%
 alpha-isomethyl ionone (90% min.) 15.00% to 18.00%
 beta-isomethyl ionone 0.10% to 5.00%
 pseudomethyl ionone 0.10% to 2.00%
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Pubchem Patents: Search
JECFA Food Flavoring: 398  methyl-alpha-ionone (50-60%)
FEMA Number: 2711 methyl-alpha-ionone (50-60%)
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):127-42-4 ; METHYL-ALPHA-IONONE
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.
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Physical Properties:
Appearance: colorless to yellow clear liquid (est)
Assay: 50.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Boiling Point: 238.00 °C. @ 760.00 mm Hg
Boiling Point: 97.00 °C. @ 2.60 mm Hg
Vapor Pressure: 0.003000 mmHg @ 25.00 °C. (est)
Flash Point: 212.00 °F. TCC ( 100.00 °C. )
logP (o/w): 4.393 (est)
Soluble in:
 alcohol
 water, 3.328 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: powdery
 
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
Substantivity: 124 hour(s) at 100.00 %
 
 floral  violet  orris  powdery  woody  
Odor Description:
at 10.00 % in dipropylene glycol. 
floral violet orris powdery woody
Luebke, William tgsc, (1984)
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Miltitz Aromatics
METHYLIONONE N
min. 50 %
Odor: Woody, powdery
Use: May be used as modifier, supporter and blender for floral, woody and leather notes.
Parchem
(E)-alpha-methyl ionone (50-60%)
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Safety Information:
European information :
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.
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
IFRA Critical Effect: Dermal sensitization
IFRA Other Specification: <= 2% Pseudomethylionone
IFRA: View Standard
View IFRA Standards Library for complete information.
Please review Amendment 49 IFRA documentation for complete information.
IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%):
Category 1: Products applied to the lips
5.40 %
Category 2: Products applied to the axillae
1.60 %
Category 3: Products applied to the face/body using fingertips
32.00 %
Category 4: Products related to fine fragrance
30.00 %
 Category 5: Products applied to the face and body using the hands (palms), primarily leave-on
Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on
7.60 %
Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on
7.60 %
Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on
7.60 %
Category 5D: Baby Creams, baby Oils and baby talc
7.60 %
Category 6: Products with oral and lip exposure
18.00 %
 Category 7: Products applied to the hair with some hand contact
Category 7A: Rinse-off products applied to the hair with some hand contact
61.00 %
Category 7B: Leave-on products applied to the hair with some hand contact
61.00 %
Category 8: Products with significant anogenital exposure
3.20 %
Category 9: Products with body and hand exposure, primarily rinse off
59.00 %
 Category 10: Household care products with mostly hand contact
Category 10A: Household care excluding aerosol products (excluding aerosol/spray products)
100.00 %
Category 10B: Household aerosol/spray products
100.00 %
 Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate
Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
100.00 %
Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
100.00 %
Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin
No Restriction
 Notes:
IFRA FLAVOR REQUIREMENTS:

Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.

use level in formulae for use in cosmetics:
  0.0160 %
Dermal Systemic Exposure in Cosmetic Products:
 0.0004 mg/kg/day (IFRA, 2001)
 
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
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: -6.50000
beverages(nonalcoholic): -1.70000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -0.60000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.40000
fruit ices: -2.40000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -6.60000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -0.21000
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: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of alicyclic substances used as flavor ingredients. View pdf
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
EPI System: View
EPA Substance Registry Services (TSCA): 127-42-4
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5371084
National Institute of Allergy and Infectious Diseases: Data
SCCNFP: opinion
WGK Germany: 2
 (E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one (50-60%)
Chemidplus: 0000127424
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References:
 (E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one (50-60%)
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 127-42-4
Pubchem (cid): 5371084
Pubchem (sid): 135016867
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (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): HMDB35245
Export Tariff Code: 2914.23.0000
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
amber
 amber oxepinFR
anisic
para-anisyl phenyl acetateFL/FR
balsamic
siam benzoin resinFL/FR
siam benzoin resinoidFL/FR
 guaiacyl phenyl acetateFL/FR
berry
 raspberry ketone methyl etherFL/FR
creamy
 veratraldehydeFL/FR
floral
 cassie absoluteFL/FR
 cassie concreteFR
 dihydro-alpha-iononeFL/FR
 dimethyl alpha-iononeFR
 hydroxycitronellalFL/FR
alpha-ionolFL/FR
beta-ionolFL/FR
alpha-iononeFL/FR
 ionone mixed isomersFL/FR
alpha-ionyl acetateFR
alpha-ironeFL/FR
beta-ironeFL/FR
beta-isomethyl iononeFL/FR
N-methyl iononeFR
alpha-isomethyl ionone (50% min.)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 orris butenoneFR
 orris pyridine 25% IPMFR
 phenethyl anthranilateFL/FR
 tetrahydroionolFR
 tobacco flower absoluteFR
fruity
 benzaldehydeFL/FR
beta-ionone epoxideFL/FR
green
2-ethylidene-6-methyl-cis-3-heptenal 
(Z)-3-hexen-1-yl heptine carbonate 
(Z)-3-hexen-1-yl methyl carbonateFL/FR
 hexen-1-yl oxypropane nitrileFR
musk
3-methyl-6-cyclohexadecen-1-oneFR
 musk etherFR
powdery
 dimethyl iononeFR
alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (44-50%)FL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
smoky
2,6-dimethoxyphenolFL/FR
spicy
 nutmeg oilFL/FR
waxy
 ethyl myristateFL/FR
 orris rhizome oil CO2 extractFL/FR
 diethyl dimethyl-2-cyclohexenoneFR
 methyl cedryl ketoneFL/FR
 sandal pentenoneFR
 timber propanolFR
4,6,11-trimethyl-5-oxatricyclo(6.2.2.0*4,9*)dodec-6-eneFR
 vetiveryl acetateFL/FR
 violet propanolFR
 woody dioxolaneFR
 woody epoxideFR
 
For Flavor
 
No flavor group found for these
alpha-campholene acetateFL
2-ethylidene-6-methyl-cis-3-heptenal 
(Z)-3-hexen-1-yl heptine carbonate 
beta-ionone epoxideFL/FR
 ionone mixed isomersFL/FR
beta-isomethyl iononeFL/FR
(E)-alpha-methyl ionone (44-50%)FL/FR
 vetiveryl acetateFL/FR
anisic
para-anisyl phenyl acetateFL/FR
balsamic
siam benzoin resinFL/FR
siam benzoin resinoidFL/FR
 peru balsamFL
berry
 dihydro-alpha-iononeFL/FR
 raspberry ketone methyl etherFL/FR
creamy
 veratraldehydeFL/FR
floral
beta-ionolFL/FR
alpha-iononeFL/FR
beta-ironeFL/FR
alpha-isomethyl ionone (50% min.)FL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 phenethyl anthranilateFL/FR
fruity
 benzaldehydeFL/FR
alpha-methyl iononeFL/FR
green
(Z)-3-hexen-1-yl methyl carbonateFL/FR
 methyl 2-undecynoateFL
medicinal
2,6-dimethoxyphenolFL/FR
oily
 tetrahydrofurfuryl propionateFL
phenolic
 guaiacyl phenyl acetateFL/FR
spicy
 cassie absoluteFL/FR
 nutmeg oilFL/FR
waxy
 ethyl myristateFL/FR
 hydroxycitronellalFL/FR
woody
alpha-ionolFL/FR
alpha-ironeFL/FR
 methyl cedryl ketoneFL/FR
 orris rhizome oil CO2 extractFL/FR
 
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Potential Uses:
 amberFR
 berry jamFR
 cassiaFR
 chypreFR
 floralFR
 grapeFR
 narcissusFR
 orientalFR
 orrisFR
 raspberryFR
 roseFR
 teaFL
 violetFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
(E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one (50-60%)
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Articles:
 None found yet.
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