We have found 46587 results matching your criteria.
Please wait while we search...
  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
    Regulatory & Documentation
  8. 8.
    Safety Information
  9. 9.
    Other Information
  10. 10.
    Blenders & Components
  11. 11.
    Literature & References

alpha-isomethyl ionone (50% min.)

Chemical Structure

General Material Information

Preferred name alpha-isomethyl ionone (50% min.)
Trivial Name Isomethyl-α-ionone
Short Description alpha-isomethylionone (50% min.)
Formula C14 H22 O
CAS Number 127-51-5
FEMA Number 2714
ECHA Number 204-846-3
FDA UNII 9XP4LC555B
COE Number 169
xLogP3-AA 3.30 (est)
NMR Predictor External link
JECFA Food Flavoring 404 alpha-isomethylionone (50% min.)
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 127-51-5 ; ALPHA-ISOMETHYLIONONE
Synonyms
  • 3-buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-
  • gammanolene
  • iraldeine gamma (Givaudan)
  • iso iraldeine pure (Givaudan)
  • irisantheme (Givaudan)
  • meth ionone gamma A tocopherol (IFF)
  • meth ionone gamma coeur (IFF)
  • meth ionone gamma pure (IFF)
  • alpha-iso methyl ionone
  • iso-alpha- methyl ionone
  • gamma- methyl ionone (so called)
  • methyl ionone gamma
  • methyl ionone gamma A (IFF)
  • methyl ionone gamma coeur (IFF)
  • methyl ionone gamma extra
  • methyl ionone gamma pure
  • methyl ionone gamma regular
  • methyl ionone gamma supreme
  • methyl ionone gamma suprime
  • (E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one (50% min.)
  • (3E)-3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
  • 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
  • (E)-3-methyl-4-(2,6,6-trimethyl-cyclohex-2-enyl)-but-3-en-2-one
  • (3E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
  • (3E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-one
  • alpha-iso methylionone (50% min.)
  • methylionone gamma D
  • methylyl ionone gamma pure
  • raldeine gamma
  • 4,2,6,6-trimethyl-2-cyclohexen-1-yl-3-methyl-3-buten-2-one
  • (E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one (50% min.)
  • 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
  • 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
  • α-Cetone
  • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one
  • α-Ionone, isomethyl-
  • Isomethyl-α-ionone
  • Cetone Alpha
  • NSC 66432
  • 3-Methyl-4-(2,6,6-trimethylcyclohex-2-enyl)-3-buten-2-one

US / EU / FDA / JECFA / FEMA / Scholar / Patents

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

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):HMDB31738
FooDB:FDB008406
YMDB (Yeast Metabolome Database):YMDB01634
Export Tariff Code:2914.23.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 206.3285369873
Specific gravity @ 25 °C
Pounds per Gallon 7.697 to 7.78
Refractive Index 1.4965 to 1.504 @ 20 °C
Boiling Point 231 to 232°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.006 mmHg @ 20 °C
Vapor Density 7
Flash Point TCC Value 100 °C TCC
logP (o/w) 4.315
Shelf life 36 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
dipropylene glycol Yes
paraffin oil Yes
water, 2.98 mg/L @ 25 °C (est) Yes
Stability
acid cleaner Unspecified
alcoholic lotion Unspecified
deo stick Unspecified
detergent perborate Unspecified
fabric softener Unspecified
hair spray Unspecified
hard surface cleaner Unspecified
liquid detergent Unspecified
non-discoloring in most media Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Floral
violet, sweet, orris, powdery, floral, woody
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 124 hour(s) at 100.00 %
Luebke, William tgsc, (1985) At 10.00 % in dipropylene glycol. violet sweet orris powdery floral woody
Flavor Type: Floral
floral, violet, powdery, dry, tea, herbal, berry, woody
Luebke, William tgsc, (1985) Floral violet powdery dry tea herbal berry woody

Safety Information

Safety information

European information :
Most important hazard(s):
Xi N - Irritant, Dangerous for the environment.
R 38 - Irritating to skin.
R 43 - May cause sensitisation by skin contact.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 37 - Wear suitable gloves.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Skin sensitisation (Category 1), H317
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H317 - May cause an allergic skin reaction
Precautionary statement(s)
P261 - Avoid breathing dust/fume/gas/mist/vapours/spray.
P272 - Contaminated work clothing should not be allowed out of the workplace.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P333 + P313 - IF SKIN irritation or rash occurs: Get medical advice/attention.
P363 - Wash contaminated clothing before reuse.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
Dispose of contents/ container to an approved waste disposal plant.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Dispose of contents/ container to an approved waste disposal plant.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
IFRA Critical Effect:
Dermal sensitization
IFRA Other Specification:
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.

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: --

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,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.4 of FGE.19
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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 (50% min.)
Chemidplus:0000127515