(E)-alpha-methyl ionone (44-50%)
 
Notes:
None found
  • Lluch Essence
    • Lluch Essence S.L.
      A family company dedicated to sales and distribution
      Flexibility, availability, price and quality.
      Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world.
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      Product(s):
      METHYL IONONE SOAP
       
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CAS Number: 127-42-4Picture of molecule3D/inchi
Other(deleted CASRN): 1322-70-9
% from: 44.00% to 50.00%
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 14.00% to 20.00%
 alpha-isomethyl ionone (90% min.) 15.00% to 20.00%
 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:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
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US Patents: Search
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Pubchem Patents: Search
JECFA Food Flavoring: 398  methyl-alpha-ionone (44-50%)
FEMA Number: 2711 methyl-alpha-ionone (44-50%)
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  woody  orris  violet  
Odor Description:
at 10.00 % in dipropylene glycol. 
floral woody orris violet
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:
Lluch Essence
METHYL IONONE SOAP
Parchem
(E)-alpha-methyl ionone (44-50%)
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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 (44-50%)
Chemidplus: 0000127424
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References:
 (E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one (44-50%)
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
No odor group found for these
(E)-beta-methyl iononeFL/FR
4-methyl-2-(2-methyl propyl)-1,3-oxathiane 
aldehydic
2,6-dimethyl-2,18-nonadecadien-8-one 
balsamic
 guaiacyl phenyl acetateFL/FR
berry
sec-butyl ethyl etherFL/FR
citrus
 citrus woody floral fragranceFR
 myrcenyl acetateFL/FR
earthy
(Z)-linalool oxide (furanoid)FL/FR
floral
 amyl cyclopentenoneCS
 boronia absoluteFL/FR
 cassie absoluteFL/FR
delta-damasconeFL/FR
 dihydro-alpha-iononeFL/FR
2',4'-dimethyl acetophenoneFL/FR
 dimethyl alpha-iononeFR
2,4-dimethyl cyclohexyl methyl acetateFR
4-dimethyl iononeFR
 elder flower wood specialtyFR
 epoxylinalyl acetate 
(E)-beta-iononeFL/FR
alpha-iononeFL/FR
 ionone mixed isomersFL/FR
alpha-ionyl acetateFR
 lavandula angustifolia flower oilFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 melaleuca ericifolia leaf oilFR
N-methyl iononeFR
beta-isomethyl iononeFL/FR
alpha-isomethyl ionone (50% min.)FL/FR
alpha-isomethyl ionone (60% min.)FL/FR
alpha-isomethyl ionone (70% min.)FL/FR
alpha-isomethyl ionone (80% min.)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
2-methyl naphthaleneFL/FR
 mimosa concrete franceFL/FR
 mimosa tenuiflora leaf extractFL/FR
bitter orangeflower concreteFR
 orris butenoneFR
 orris pyridine 25% IPMFR
 orris rhizome absolute replacerFR
 petitgrain cedrat oilFL/FR
 petitgrain oil terpenesFR
beta-phenethyl angelate 
 phenethyl hexanoateFL/FR
 rose concrete (rosa centifolia)FR
 styralyl formateFL/FR
 vetiver pentanoneFR
fruity
1,4-diisopropyl-6,8-dioxabicyclo(3.2.1)octaneFR
2-ethyl butyl 2-butenoate 
beta-ionone epoxideFL/FR
 linalool oxide acetatesFL/FR
 octyl propionateFL/FR
 tropical iononeFL/FR
green
isogreen methanoindeneFR
(E)-2-hexen-1-yl salicylateFR
para-methyl hydratropaldehydeFL/FR
herbal
 calendula officinalis flower oil CO2 extractFR
2-cyclohexyl cyclohexanoneFR
 freesia heptanolFL/FR
 immortelle flower oilFL/FR
 marigold pot flower oilFL/FR
mossy
 moss specialtyFR
musk
 amyris specialtyFR
 ethylene brassylateFL/FR
orris
2(1)-orris butanalFL/FR
powdery
 dimethyl iononeFR
(E)-alpha-methyl ionone (50-60%)FL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
rummy
 rum extractFL/FR
spicy
isoeugenolFL/FR
 safroleCS
white sassafras oilFL/FR
 spicy carbonateFR
terpenic
alpha-terpineolFL/FR
tropical
 patchwoodFR
waxy
 ethyl myristateFL/FR
woody
 anthocephalus cadamba oilFR
 bois de rose leaf oil brazilFL/FR
cis-3-tert-butyl cyclohexyl acetate 
 cabreuva wood oilFR
 chloranthus spicatus absoluteFR
 convolvulus scoparius wood oilFR
2-decalinyl acetateFR
 diethyl dimethyl-2-cyclohexenoneFR
 dihydro-beta-ionolFL/FR
3',4'-dimethoxyacetophenone 
10-epi-gamma-eudesmol 
 homalomena rubescens root oilFR
3-methyl pentyl angelateFR
 sandal octanolFR
 santalyl acetateFL/FR
 violet propanolFR
 zdravetz absoluteFR
 zdravetz oilFL/FR
 
For Flavor
 
No flavor group found for these
cis-3-tert-butyl cyclohexyl acetate 
sec-butyl ethyl etherFL/FR
alpha-campholene acetateFL
 dihydro-beta-ionolFL/FR
2',4'-dimethyl acetophenoneFL/FR
2,6-dimethyl-2,18-nonadecadien-8-one 
 epoxylinalyl acetate 
2-ethyl butyl 2-butenoate 
10-epi-gamma-eudesmol 
beta-ionone epoxideFL/FR
 ionone mixed isomersFL/FR
(Z)-linalool oxide (furanoid)FL/FR
 linalool oxide acetatesFL/FR
 marigold pot flower oilFL/FR
(E)-beta-methyl iononeFL/FR
beta-isomethyl iononeFL/FR
(E)-alpha-methyl ionone (50-60%)FL/FR
alpha-isomethyl ionone (60% min.)FL/FR
4-methyl-2-(2-methyl propyl)-1,3-oxathiane 
2(1)-orris butanalFL/FR
beta-phenethyl angelate 
white sassafras oilFL/FR
 styralyl formateFL/FR
 zdravetz oilFL/FR
berry
 dihydro-alpha-iononeFL/FR
citrus
 freesia heptanolFL/FR
laevo-linaloolFL/FR
 myrcenyl acetateFL/FR
 petitgrain cedrat oilFL/FR
alpha-terpineolFL/FR
estery
 octyl propionateFL/FR
floral
 bois de rose leaf oil brazilFL/FR
alpha-iononeFL/FR
alpha-isomethyl ionone (50% min.)FL/FR
alpha-isomethyl ionone (70% min.)FL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
alpha-isomethyl ionone (80% min.)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 mimosa concrete franceFL/FR
 mimosa tenuiflora leaf extractFL/FR
 tropical iononeFL/FR
fruity
 boronia absoluteFL/FR
green
 linalool oxideFL/FR
para-methyl hydratropaldehydeFL/FR
herbal
 immortelle flower oilFL/FR
 lavandula angustifolia flower oilFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
musk
 ethylene brassylateFL/FR
oily
2-methyl naphthaleneFL/FR
phenolic
 guaiacyl phenyl acetateFL/FR
rummy
 rum extractFL/FR
spicy
 cassie absoluteFL/FR
isoeugenolFL/FR
waxy
 ethyl myristateFL/FR
 phenethyl hexanoateFL/FR
woody
delta-damasconeFL/FR
3',4'-dimethoxyacetophenone 
(E)-beta-iononeFL/FR
 methyl ionyl acetateFL/FR
 santalyl acetateFL/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 (44-50%)
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Articles:
 None found yet.
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