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

delta-methyl ionone
methyl-delta-ionone

Supplier Sponsors

Fragrance Demo Formulas
Name:(E)-1-(2,6,6-trimethyl-1-cyclohex-3-enyl)pent-1-en-3-one
CAS Number: 7784-98-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:232-074-7
FDA UNII:11E70LY0Z5
CoE Number:11852
XlogP3-AA:3.60 (est)
Molecular Weight:206.32854000
Formula:C14 H22 O
NMR Predictor:Predict (works with chrome or firefox)
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:400 methyl-delta-ionone
FLAVIS Number:07.088 (Old)
DG SANTE Food Flavourings:07.088 methyl-delta-ionone
FEMA Number:2713 methyl-delta-ionone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):7784-98-7 ; METHYL-DELTA-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:pale yellow to yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.92900 to 0.93400 @ 25.00 °C.
Pounds per Gallon - (est).: 7.730 to 7.772
Refractive Index:1.50100 to 1.50400 @ 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: 252.00 °F. TCC ( 122.20 °C. ) (est)
logP (o/w): 4.499 (est)
Soluble in:
 alcohol
 water, 4.295 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: woody
Odor Strength:medium
musk patchouli oakmoss
Odor Description:at 100.00 %. musk patchouli oakmoss
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
R C Treatt & Co Ltd
delta-Methyl Ionone
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
IFRA Critical Effect: Sensitization
IFRA Other Specification: <= 2% Pseudomethylionone
Recommendation for delta-methyl ionone usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.37 (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
 average usual ppmaverage maximum ppm
baked goods: -2.80000
beverages(nonalcoholic): -0.61000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.89000
fruit ices: -0.89000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -3.20000
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 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):7784-98-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5463913
National Institute of Allergy and Infectious Diseases:Data
(E)-1-(2,6,6-trimethyl-1-cyclohex-3-enyl)pent-1-en-3-one
Chemidplus:0007784987
 
References:
 (E)-1-(2,6,6-trimethyl-1-cyclohex-3-enyl)pent-1-en-3-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7784-98-7
Pubchem (cid):5463913
Pubchem (sid):135263080
 
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):HMDB32397
FooDB:FDB009825
Export Tariff Code:2914.23.0000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
amber
amber naphthofuran
FL/FR
amber oxepin
FR
ambrette seed absolute
FL/FR
ambroxide
FL/FR
cistus ladaniferus absolute resin
FL/FR
cistus ladaniferus resinoid
FR
(cis+trans)-6,6a,7,8,9,9a-
hexahydro-7,7,8,9,9-pentamethyl-5H-cyclopenta[H]quinazoline
FR
labdanum absolute
FL/FR
labdanum oil
FL/FR
animal
iso
butyl quinoline
FR
musk indenofuran
FR
balsamic
cistus leaf oil
FR
myrrh resin
FL/FR
opoponax absolute (commiphora erythraea var. glabrescens engle)
FL/FR
opoponax resin (commiphora erythraea var. glabrescens engler)
FL/FR
opoponax resinoid (commiphora erythraea var. glabrescens engle)
FR
oriental specialty
FR
green
oakmoss oil
FR
leathery
4-tert-
butyl phenol
CS
marine
green
algae absolute
FL/FR
mossy
oakmoss phenol
FR
veramoss (IFF)
FR
musk
cyclohexadecanone
FR
musk amberol
FR
musk decanolide
FR
musk indane
FR
musk indanone
FR
musk tetralin
FR
spicy
levisticum officinale root oil
FL/FR
terpenic
frankincense oil
FL/FR
tobacco
3-
ethyl pyridine
FL/FR
woody
amber dodecane
FR
amber pentadecane
FR
para-tert-
butyl cyclohexanone
FR
atlas
cedarwood absolute
FR
atlas
cedarwood oil
FR
frankincense resin
FL/FR
frankincense resinoid
FL/FR
sandal pentenol
FL/FR
verdoxan
FR
For Flavor
No flavor group found for these
green
algae absolute
FL/FR
ambroxide
FL/FR
sandal pentenol
FL/FR
amber
amber
amber naphthofuran
FL/FR
cistus ladaniferus absolute resin
FL/FR
labdanum absolute
FL/FR
labdanum oil
FL/FR
balsamic
myrrh resin
FL/FR
opoponax absolute (commiphora erythraea var. glabrescens engle)
FL/FR
opoponax resin (commiphora erythraea var. glabrescens engler)
FL/FR
caramellic
3-
ethyl pyridine
FL/FR
spicy
levisticum officinale root oil
FL/FR
woody
ambrette seed absolute
FL/FR
frankincense oil
FL/FR
frankincense resin
FL/FR
frankincense resinoid
FL/FR
 
Potential Uses:
FRamber
FRmoss
FRmusk
FRorris
FRpatchouli
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 methyl delta-ionone
 methyl-delta-ionone
1-penten-3-one, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-
(E)-1-(2,6,6-trimethyl-1-cyclohex-3-enyl)pent-1-en-3-one
5-2,6,6-trimethyl-3-cyclohexen-1-yl-4-penten-3-one
1-(2,6,6-trimethyl-3-cyclohexen-1-yl) pent-1-en-3-one
1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-1-penten-3-one
5-(2,6,6-trimethyl-3-cyclohexen-1-yl)-4-penten-3-one
1-(2,6,6-trimethyl-3-cyclohexen-1-yl)pent-1-en-3-one
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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