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

(E)-alpha-methyl ionone (44-50%)

Supplier Sponsors

Name:(E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one (44-50%)
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
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: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.
 
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)
 
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 sample from: Union Camp Corporation
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Lluch Essence
METHYL IONONE SOAP
Parchem
(E)-alpha-methyl ionone (44-50%)
 
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
 
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
 View the IFRA 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: --
 
Safety References:
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
 
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
 
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
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-beta-
methyl ionone
FL/FR
balsamic
balsamic
guaiacyl phenyl acetate
FL/FR
berry
sec-
butyl ethyl ether
FL/FR
citrus
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
2',4'-
dimethyl acetophenone
FL/FR
dimethyl alpha-ionone
FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
4-
dimethyl ionone
FR
elder flower wood specialty
FR
(E)-beta-
ionone
FL/FR
alpha-
ionone
FL/FR
ionone mixed isomers
FL/FR
alpha-
ionyl acetate
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
N-
methyl ionone
FR
beta-iso
methyl ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
alpha-iso
methyl ionone (60% min.)
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
methyl ionyl acetate
FL/FR
2-
methyl naphthalene
FL/FR
mimosa concrete france
FL/FR
mimosa tenuiflora leaf extract
FL/FR
bitter
orangeflower concrete
FR
orris butenone
FR
orris pyridine 25% IPM
FR
orris rhizome absolute replacer
FR
petitgrain cedrat oil
FL/FR
petitgrain oil terpenes
FR
phenethyl hexanoate
FL/FR
rose concrete (rosa centifolia)
FR
styralyl formate
FL/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
para-
methyl hydratropaldehyde
FL/FR
herbal
calendula officinalis flower oil CO2 extract
FR
2-
cyclohexyl cyclohexanone
FR
freesia heptanol
FL/FR
immortelle flower oil
FL/FR
marigold pot flower oil
FL/FR
mossy
moss specialty
FR
musk
amyris specialty
FR
ethylene brassylate
FL/FR
orris
2(1)-
orris butanal
FL/FR
powdery
dimethyl ionone
FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
rummy
rum extract
FL/FR
spicy
iso
eugenol
FL/FR
safrole
CS
white
sassafras oil
FL/FR
spicy carbonate
FR
terpenic
alpha-
terpineol
FL/FR
tropical
patchwood
FR
waxy
ethyl myristate
FL/FR
woody
anthocephalus cadamba oil
FR
bois de rose leaf oil brazil
FL/FR
cabreuva wood oil
FR
chloranthus spicatus absolute
FR
convolvulus scoparius wood oil
FR
2-
decalinyl acetate
FR
diethyl dimethyl-2-cyclohexenone
FR
dihydro-beta-ionol
FL/FR
homalomena rubescens root oil
FR
3-
methyl pentyl angelate
FR
sandal octanol
FR
santalyl acetate
FL/FR
violet propanol
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
beta-
ionone epoxide
FL/FR
ionone mixed isomers
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
linalool oxide acetates
FL/FR
marigold pot flower oil
FL/FR
(E)-beta-
methyl ionone
FL/FR
beta-iso
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
alpha-iso
methyl ionone (60% min.)
FL/FR
2(1)-
orris butanal
FL/FR
white
sassafras oil
FL/FR
styralyl formate
FL/FR
zdravetz oil
FL/FR
berry
berry
dihydro-alpha-ionone
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
alpha-
ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
alpha-iso
methyl ionone (70% min.)
FL/FR
(E)-alpha-
methyl ionone (74-80%)
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
tropical ionone
FL/FR
fruity
boronia absolute
FL/FR
green
linalool oxide
FL/FR
para-
methyl hydratropaldehyde
FL/FR
herbal
immortelle flower oil
FL/FR
lavandula angustifolia flower oil
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
musk
ethylene brassylate
FL/FR
oily
2-
methyl naphthalene
FL/FR
phenolic
guaiacyl phenyl acetate
FL/FR
rummy
rum extract
FL/FR
spicy
cassie absolute
FL/FR
iso
eugenol
FL/FR
waxy
ethyl myristate
FL/FR
phenethyl hexanoate
FL/FR
woody
delta-
damascone
FL/FR
(E)-beta-
ionone
FL/FR
methyl ionyl acetate
FL/FR
santalyl acetate
FL/FR
 
Potential Uses:
FRamber
FRberry jam
FRcassia
FRchypre
FRfloral
FRgrape
FRnarcissus
FRoriental
FRorris
FRraspberry
FRrose
FLtea
FRviolet
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
(E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one (44-50%)
 

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