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

beta-methyl ionone

Sponsors

Name:1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-one
CAS Number: 127-43-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-843-7
FDA UNII:54PXU8D4R5
CoE Number:144
XlogP3-AA:3.40 (est)
Molecular Weight:206.32854000
Formula:C14 H22 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
At least 88%; secondary component 7-10% alpha- and beta-isomethylionone. (JECFA/ EFSA)
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:399 methyl-beta-ionone
FLAVIS Number:07.010 (Old)
DG SANTE Food Flavourings:07.010 methyl-beta-ionone
FEMA Number:2712 methyl-beta-ionone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: METHYL-BETA-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: 88.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Boiling Point: 102.00 °C. @ 2.60 mm Hg
Boiling Point: 238.00 to 242.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point:> 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 4.099 (est)
Soluble in:
 alcohol
 water, 2.579 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: orris
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:328 hour(s) at 100.00 %
orris woody powdery floral violet tropical tobacco creamy
Odor Description:at 10.00 % in dipropylene glycol. orris woody powdery floral violet tropical tobacco creamy
Odor sample from: International Flavors & Fragrances Inc.
Flavor Type: floral
floral orris woody tobacco powdery berry violet creamy
Taste Description: sweet floral orris woody tobacco powdery berry violet creamy
Odor and/or flavor descriptions from others (if found).
IFF
Meth Ionone Beta Coeur
Odor Description:Precious woody, orris tobacco note with violet nuances
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Azelis UK
Meth Ionone Beta Coeur
Services
Berjé
Methyl Ionone Beta
Happening at Berje
IFF
Meth Ionone Beta Coeur
Odor: Precious woody, orris tobacco note with violet nuances
Kun Shan P&A
Methyl Ionone Beta Coeur
Penta International
b-METHYL IONONE, Kosher
Perfumer Supply House
Methyl Beta Ionone Coeur
Odor: A delicate, floral, violet note
Perfumery Laboratory
METHYL ION BETA IFF (METHYL IONONE BETA COEUR IFF)
Odor: Soft, woody, sweet, iris, powdery, floral
Perfumery Laboratory
METHYL ION BETA IFF (METHYL IONONE BETA COEUR IFF)
Odor: Soft, woody, sweet, iris, powdery, floral
The John D. Walsh Company
Methyl Ionone Beta Coeur
 
Safety Information:
European information :
Most important hazard(s):
Xn - Harmful.
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 23 - Do not breath fumes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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: Dermal sensitization
IFRA Other Specification: <= 2% Pseudomethylionone
IFRA: View Standard
Fragrance usage is IFRA RESTRICTED. View Standard for complete information.
Please review all IFRA documents for complete information.
IFRA categories: limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
Category 1:
See Note (1)
2.00 % (1)
Category 2:  2.59 %
Category 3:  10.56 %
Category 4:  31.67 %
Category 5:  16.67 %
Category 6:  50.72 % (1)
Category 7:  5.30 %
Category 8:  2.00 %
Category 9:  5.00 %
Category 10:  2.50 %
Category 11: See Note (2)
 Notes:
 

For this material, for pragmatic reasons, restrictive levels allowed by the QRA for certain categories but actually being higher than those already in place before applying the QRA, will temporarily not be implemented until the end of a 5 year monitoring phase. At the end of the 5 years the position will be reevaluated again.

 

(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org).

 

(2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product.

use level in formulae for use in cosmetics:
  0.1000 %
Dermal Systemic Exposure in Cosmetic Products:
 0.0025 mg/kg/day (IFRA, 2001)
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 5.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.20 (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: -5.90000
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.20000
fruit ices: -2.20000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -7.50000
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

Scientific Opinion on Flavouring Group Evaluation 73, Revision 3 (FGE.73Rev3): Consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev4 (2013)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 9, Revision 5 (FGE.09Rev5): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 87, Revision 2 (FGE.87Rev2): Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47Rev1 (2008)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 213, Revision 2 (FGE.213Rev2): Consideration of genotoxic potential for a,-unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):127-43-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61072
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-one
Chemidplus:0000127435
 
References:
 1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:127-43-5
Pubchem (cid):61072
Pubchem (sid):135016868
 
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 Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB38130
FooDB:FDB017357
Export Tariff Code:2914.23.0000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
amber
amber naphthofuran
FL/FR
amber oxepin
FR
amber powdery floral fragrance
FR
anisic
para-
anisyl phenyl acetate
FL/FR
balsamic
iso
amyl cinnamate
FL/FR
siam
benzoin resin
FL/FR
siam
benzoin resinoid
FL/FR
benzyl benzoate
FL/FR
benzyl cinnamate
FL/FR
guaiacyl phenyl acetate
FL/FR
berry
raspberry ketone methyl ether
FL/FR
citrus
bergamot vanilla specialty
FR
creamy
veratraldehyde
FL/FR
floral
cassie absolute
FL/FR
cassie concrete
FR
dimethyl alpha-ionone
FR
dimethyl anthranilate
FL/FR
alpha-
ionol
FL/FR
beta-
ionol
FL/FR
(E)-beta-
ionone
FL/FR
alpha-
ionone
FL/FR
alpha-
ionyl acetate
FR
alpha-
irone
FL/FR
beta-
irone
FL/FR
N-
methyl ionone
FR
alpha-iso
methyl ionone (50% 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
mimosa absolute replacer
FR
orris pyridine 25% IPM
FR
orris rhizome resinoid (iris pallida)
FL/FR
petitgrain mandarin oil terpeneless
FL/FR
rhodinyl acetate
FL/FR
tetrahydroionol
FR
tobacco flower absolute
FR
fruity
benzaldehyde
FL/FR
tropical ionone
FL/FR
green
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
hexen-1-yl oxypropane nitrile
FR
violet dienyne
FR
herbal
2-
cyclohexyl cyclohexanone
FR
musk
3-
methyl-6-cyclohexadecen-1-one
FR
musk amberol
FR
musk ether
FR
musk indanone
FR
omega-
pentadecalactone
FL/FR
6,7,8,9-
tetrahydro-7,7,8,9,9-pentamethyl-5H-cyclopenta[H]quinazoline
FR
orris
2(1)-
orris butanal
FL/FR
powdery
dimethyl ionone
FR
alpha-
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (44-50%)
FL/FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
smoky
2,6-
dimethoxyphenol
FL/FR
spicy
nutmeg oil
FL/FR
tonka
mint lactone
FL/FR
tropical
patchwood
FR
vanilla
heliotropyl alcohol
FL/FR
waxy
orris rhizome oil CO2 extract
FL/FR
woody
amber woody specialty
FR
sandal pentenone
FR
santalyl acetate
FL/FR
timber propanol
FR
4,6,11-
trimethyl-5-oxatricyclo(6.2.2.0*4,9*)dodec-6-ene
FR
vetiveryl acetate
FL/FR
violet propanol
FR
woody dioxolane
FR
woody epoxide
FR
woody nonane (ethoxy)
FR
For Flavor
No flavor group found for these
alpha-
campholene acetate
FL
heliotropyl alcohol
FL/FR
(E)-alpha-
methyl ionone (44-50%)
FL/FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
2(1)-
orris butanal
FL/FR
peru balsam
FL
vetiveryl acetate
FL/FR
amber
amber
amber naphthofuran
FL/FR
anisic
para-
anisyl phenyl acetate
FL/FR
balsamic
siam
benzoin resin
FL/FR
siam
benzoin resinoid
FL/FR
benzyl benzoate
FL/FR
berry
raspberry ketone methyl ether
FL/FR
coconut
6-
methyl coumarin
FL
creamy
mint lactone
FL/FR
veratraldehyde
FL/FR
floral
iso
amyl cinnamate
FL/FR
beta-
ionol
FL/FR
alpha-
ionone
FL/FR
beta-
irone
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
orris rhizome resinoid (iris pallida)
FL/FR
rhodinyl acetate
FL/FR
tropical ionone
FL/FR
fruity
benzaldehyde
FL/FR
dimethyl anthranilate
FL/FR
alpha-
methyl ionone
FL/FR
petitgrain mandarin oil terpeneless
FL/FR
green
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
methyl 2-undecynoate
FL
medicinal
2,6-
dimethoxyphenol
FL/FR
phenolic
guaiacyl phenyl acetate
FL/FR
spicy
benzyl cinnamate
FL/FR
cassie absolute
FL/FR
nutmeg oil
FL/FR
vanilla
omega-
pentadecalactone
FL/FR
woody
alpha-
ionol
FL/FR
(E)-beta-
ionone
FL/FR
alpha-
irone
FL/FR
orris rhizome oil CO2 extract
FL/FR
santalyl acetate
FL/FR
 
Potential Uses:
FRfloral
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
beta-cyclocitrylidene butanone
 meth ionone beta coeur (IFF)
 methyl beta-ionone
b-methyl ionone
 methyl ionone beta coeur (IFF)
1-penten-3-one, 1- (2,6, 6-trimethyl-1-cyclohexen-1-yl)-
1-penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
1-(2,6,6-trimethyl-1-cyclohexen-1-yl) pent-1-en-3-one
1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1-penten-3-one
5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-4-penten-3-one
1-(2,6,6-trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one
5-2,6,6-trimethyl-1-cyclohexen-1-yl-4-penten-3-one
(E)-1-(2,6,6-trimethyl-1-cyclohexenyl) pent-1-en-3-one
1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-one
1-(2,6,6-trimethylcyclohex-1-en-1-yl)pent-1-en-3-one
 

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Notes:
Flavouring ingredient
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