alpha-isomethyl ionone (60% min.)
 
Notes:
Blends well with woody notes. Gives good body.
  • Vigon International
    • Vigon International, Inc.
      Passion for Simplicity
      Manufacturer and supplier of high quality flavor and fragrance ingredients.
      The growth and success of Vigon is due in large part to a unique corporate concept that Vigon has developed and established within the industry: Creative Partnerships. This partnership concept has been and continues to be the foundation and guiding principle for all of Vigon's activities.
      US Email: Sales
      US Voice: 570-476-6300
      US Fax: 570-476-1110
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      Products List: View
      Product(s):
      500907 Isoraldeine 70 (Methyl Ionone Gamma 63%)
       
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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
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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.
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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)
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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 and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
skin conditioning
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Suppliers:
Vigon International
Isoraldeine 70 (Methyl Ionone Gamma 63%)
Odor: FLORAL, WOODY
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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
Luebke, William tgsc, (1985)

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Luebke, William tgsc, (1985)

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:
  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
Click here to view publication 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: --
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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 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
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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
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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
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
No odor group found for these
 amchoor powder 
aldehydic
2,6-dimethyl-2,18-nonadecadien-8-one 
amber
 cistus ladaniferus resinoidFL/FR
animal
 animal carbolactoneFR
 costus valerolactoneFR
balsamic
 copaiba balsam oilFL/FR
 guaiacyl phenyl acetateFL/FR
 opoponax oil (balsamodendron kafal)FL/FR
berry
sec-butyl ethyl etherFL/FR
citrus
 citronelloneFR
 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
 dihydrojasmoneFL/FR
2',4'-dimethyl acetophenoneFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
4-dimethyl iononeFR
 elder flower wood specialtyFR
 epoxylinalyl acetate 
 heliotropyl acetoneFL/FR
 hydroxycitronellalFL/FR
(E)-beta-iononeFL/FR
alpha-iononeFL/FR
alpha-ionyl acetateFR
 iris specialtyFR
alpha-ironeFL/FR
 lavandula angustifolia flower oilFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 melaleuca ericifolia leaf oilFR
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
4-methyl-2-(2-methyl propyl)-1,3-oxathiane 
 mimosa absolute franceFL/FR
 mimosa concrete franceFL/FR
 mimosa tenuiflora leaf extractFL/FR
 nerolidolFL/FR
bitter orangeflower concreteFR
 orris butenoneFR
 orris rhizome absolute (iris germanica)FL/FR
 orris rhizome absolute (iris pallida)FL/FR
 orris rhizome absolute replacerFR
 orris rhizome oil (iris germanica)FL/FR
 orris rhizome resinoid (iris pallida)FL/FR
 petitgrain cedrat oilFL/FR
 petitgrain oil terpenesFR
 phenethyl anthranilateFL/FR
 phenethyl hexanoateFL/FR
 rose concrete (rosa centifolia)FR
 styralyl formateFL/FR
 tetrahydroionolFR
 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
 hexyl 2-methyl butyrateFL/FR
para-methyl hydratropaldehydeFL/FR
herbal
 acorus calamus root oilFR
 calendula officinalis flower oil CO2 extractFR
 clary sage oil franceFL/FR
 daucus carota fruit oilFL/FR
 freesia heptanolFL/FR
 immortelle flower oilFL/FR
 marigold pot flower oilFL/FR
 rosemary oil spainFL/FR
melon
 watermelon ketoneFR
mossy
 moss specialtyFR
musk
 amyris specialtyFR
 ethylene brassylateFL/FR
powdery
(E)-alpha-methyl ionone (44-50%)FL/FR
rummy
 rum extractFL/FR
spicy
 allspice berry oilFL/FR
 elettaria cardamomum seed oilFL/FR
isoeugenolFL/FR
isoeugenyl acetateFL/FR
 safroleCS
white sassafras oilFL/FR
 spicy carbonateFR
 turmeric root oil chinaFL/FR
terpenic
 frankincense oilFL/FR
 juniperus communis fruit oilFL/FR
alpha-terpineolFL/FR
woody
 anthocephalus cadamba oilFR
 bois de rose leaf oil brazilFL/FR
 cabreuva wood oilFR
 cedarwood oil virginiaFR
 cedrela wood oilFR
 chloranthus spicatus absoluteFR
 convolvulus scoparius wood oilFR
2-decalinyl acetateFR
 dihydro-beta-ionolFL/FR
3',4'-dimethoxyacetophenone 
10-epi-gamma-eudesmol 
 homalomena rubescens root oilFR
isolongifolene epoxideFR
 methyl cedryl ketoneFL/FR
 methyl ionone terpenes 
3-methyl pentyl angelateFR
 sandal octanolFR
 sandalwood oilFL/FR
 santalyl acetateFL/FR
1-(5',5',6'-trimethyl bicyclo(2.2.1)hept-2'-yl) propan-2-oneFR
 zdravetz absoluteFR
 zdravetz oilFL/FR
 
For Flavor
 
No flavor group found for these
sec-butyl ethyl etherFL/FR
alpha-campholene acetateFL
 cistus ladaniferus resinoidFL/FR
 dihydro-beta-ionolFL/FR
2',4'-dimethyl acetophenoneFL/FR
2,6-dimethyl-2,18-nonadecadien-8-one 
 elecampane root absoluteFL
 epoxylinalyl acetate 
2-ethyl butyl 2-butenoate 
10-epi-gamma-eudesmol 
beta-ionone epoxideFL/FR
(Z)-linalool oxide (furanoid)FL/FR
 linalool oxide acetatesFL/FR
 marigold pot flower oilFL/FR
(E)-alpha-methyl ionone (44-50%)FL/FR
 methyl ionone terpenes 
4-methyl-2-(2-methyl propyl)-1,3-oxathiane 
white sassafras oilFL/FR
 styralyl formateFL/FR
 zdravetz oilFL/FR
 amchoor powder 
balsamic
 copaiba balsam oilFL/FR
 opoponax oil (balsamodendron kafal)FL/FR
berry
 dihydro-alpha-iononeFL/FR
 heliotropyl acetoneFL/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
 dihydrojasmoneFL/FR
alpha-iononeFL/FR
alpha-isomethyl ionone (70% min.)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
 orris rhizome oil (iris germanica)FL/FR
 orris rhizome resinoid (iris pallida)FL/FR
 phenethyl anthranilateFL/FR
 tropical iononeFL/FR
fruity
 boronia absoluteFL/FR
green
 hexyl 2-methyl butyrateFL/FR
 linalool oxideFL/FR
para-methyl hydratropaldehydeFL/FR
 nerolidolFL/FR
herbal
 clary sage oil franceFL/FR
 daucus carota fruit oilFL/FR
 immortelle flower oilFL/FR
 lavandula angustifolia flower oilFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 rosemary oil spainFL/FR
musk
 ethylene brassylateFL/FR
oily
2-methyl naphthaleneFL/FR
orris
 costus root oilFL
phenolic
 guaiacyl phenyl acetateFL/FR
rummy
 rum extractFL/FR
spicy
 allspice berry oilFL/FR
 cassie absoluteFL/FR
 elettaria cardamomum seed oilFL/FR
isoeugenolFL/FR
isoeugenyl acetateFL/FR
 turmeric root oil chinaFL/FR
sweet
 orris rhizome absolute (iris germanica)FL/FR
 orris rhizome absolute (iris pallida)FL/FR
terpenic
 juniperus communis fruit oilFL/FR
waxy
 hydroxycitronellalFL/FR
 mimosa absolute franceFL/FR
 phenethyl hexanoateFL/FR
woody
delta-damasconeFL/FR
3',4'-dimethoxyacetophenone 
 frankincense oilFL/FR
(E)-beta-iononeFL/FR
alpha-ironeFL/FR
 methyl cedryl ketoneFL/FR
 methyl ionyl acetateFL/FR
 sandalwood oilFL/FR
 santalyl acetateFL/FR
 
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Potential Uses:
 anais anais 
 beeswax absolute replacerFR
 berryFR
 blueberryFR
 cassiaFR
 charlie 
 chloe 
 chypreFR
 cranberryFR
 cyclamenFR
 diffusion 
 estee 
 fidji 
 fir needle oil replacerFR
 floralFR
 fruitFR
 genetFR
 l'air du temps 
 l'heure bleue 
 l'origan 
 leatherFR
 leather russian leatherFR
 mimosaFR
 mossFR
 norell 
 orientalFR
 paris 
 patchouliFR
 pruneFR
 raspberryFR
 roseFR
 strawberryFR
 vika cologne 
 violetFR
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Occurrence (nature, food, other): note
 not found in nature
Synonyms   Articles   Notes   Search   Top
Synonyms:
(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one (60% min.)
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Articles:
 None found yet.
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