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

pseudoionone
3,5,9-undecatrien-2-one, 6,10-dimethyl-, (3E,5E)-

Sponsors

Name:(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one
CAS Number: 141-10-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:205-457-1
FDA UNII:H1KUL01Y8O
Nikkaji Web:J1.191F
Beilstein Number:1722925
MDL:MFCD00015038
CoE Number:11191
XlogP3-AA:3.90 (est)
Molecular Weight:192.30160000
Formula:C13 H20 O
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Mixture of E/Z stereoisomers: >50 % (EE) (EFFA, 2012c).
Category:flavoring 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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:2187 pseudoionone
FLAVIS Number:07.198 (Old)
DG SANTE Food Flavourings:07.198 pseudoionone
FEMA Number:4299 pseudoionone
FDA Mainterm: PSEUDOIONONE
 
Physical Properties:
Appearance:yellow to dark yellow clear oily liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.89400 to 0.90300 @ 25.00 °C.
Pounds per Gallon - (est).: 7.439 to 7.514
Refractive Index:1.52900 to 1.53500 @ 20.00 °C.
Refractive Index:1.53346 @ 20.00 °C.
Boiling Point: 114.00 to 116.00 °C. @ 2.00 mm Hg
Boiling Point: 143.00 to 145.00 °C. @ 12.00 mm Hg
Acid Value: 8.00 max. KOH/g
Vapor Pressure:0.001000 mm/Hg @ 25.00 °C. (est)
Vapor Density:6.6 ( Air = 1 )
Flash Point: 183.00 °F. TCC ( 83.89 °C. )
logP (o/w): 3.694 (est)
Soluble in:
 alcohol
 water, 7.854 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: balsamic
Odor Strength:medium
Substantivity:29 hour(s) at 100.00 %
sweet waxy citrus floral balsamic dry dusty powdery spicy
Odor Description:at 100.00 %. sweet waxy citrus floral balsamic dry dusty powdery spicy
Luebke, William tgsc, (2008)
Odor sample from: Sigma-Aldrich
Flavor Type: floral
">floral grassy balsamic citrus waxy fatty spicy terpenic
Taste Description: sweet floral grassy balsamic citrus waxy fatty spicy terpenic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: not used anymore
 
Suppliers:
BOC Sciences
For experimental / research use only.
pseudoIonone
Ernesto Ventós
pseudoOIONONE BASF
Odor: SWEET, CITRIC, FLORAL, BALSAMIC
Penta International
pseudoIONONE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
pseudoIonone
Sigma-Aldrich: Aldrich
For experimental / research use only.
Pseudoionone technical, mixture of isomers, ≥90% (GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
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
Food and Chemical Toxicology. Vol. 26, Pg. 311, 1988.

Dermal Toxicity:
skin-rabbit LDLo 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 311, 1988.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
IFRA Critical Effect: Sensitization
IFRA fragrance material specification:
 Pseudoionone should not be used as fragrance ingredient as such, but a level of up to 2% as an impurity in ionones is accepted.
IFRA: View Standard
Recommendation for pseudoionone usage levels up to:
 PROHIBITED: Should not be used as a fragrance ingredient.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
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: 23
 average usual ppmaverage maximum ppm
baked goods: 5.0000025.00000
beverages(nonalcoholic): 2.0000010.00000
beverages(alcoholic): --
breakfast cereal: 2.0000010.00000
cheese: 3.0000015.00000
chewing gum: --
condiments / relishes: 2.0000010.00000
confectionery froastings: 4.0000020.00000
egg products: --
fats / oils: 2.0000010.00000
fish products: 1.000005.00000
frozen dairy: 3.0000015.00000
fruit ices: 3.0000015.00000
gelatins / puddings: 5.0000025.00000
granulated sugar: --
gravies: 2.0000010.00000
hard candy: --
imitation dairy: 3.0000015.00000
instant coffee / tea: --
jams / jellies: 5.0000025.00000
meat products: 1.000005.00000
milk products: 3.0000015.00000
nut products: --
other grains: 2.0000010.00000
poultry: 1.000005.00000
processed fruits: 2.0000010.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 2.0000010.00000
snack foods: --
soft candy: --
soups: 2.0000010.00000
sugar substitutes: --
sweet sauces: 2.0000010.00000
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
 
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):
List of apha, beta-Unsaturated Aldehydes and Ketones representative of FGE.19 substances for Genotoxicity Testing [1] - Statement of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 206 (FGE.206): Consideration of genotoxicity data on representatives for 12 alpha,beta-unsaturated ketones and precursors from chemical subgroup 1.2.3 of FGE.19 by EFSA
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 7, Revision 4 (FGE.07Rev4): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 7, Revision 5 (FGE.07Rev5): saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf
EPI System: View
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):141-10-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :1757003
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WISER:UN 1993
WGK Germany:2
(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one
Chemidplus:0000141106
RTECS:YQ2833700 for cas# 141-10-6
 
References:
 (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:141-10-6
Pubchem (cid):1757003
Pubchem (sid):135034976
Pherobase:View
 
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
CHEBI:View
HMDB (The Human Metabolome Database):HMDB32498
FooDB:FDB010156
Export Tariff Code:2914.23.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
yuzunone
FL
bitter
bitter
glyceryl tributyrate
FL
fatty
(E,E)-2,4-
dodecadienal
FL
(E,E)-2,4-
undecadienal
FL
green
(E,E)-2,4-
hexadienal
FL
waxy
octyl 2-furoate
FL
 
Potential Uses:
FLapricot
 balsam
FL/FRcitronella
FLcitrus
FLcranberry
FLcurrant black
FLgooseberry
FLlemon
 woody
 
Occurrence (nature, food, other):note
 clover yellow sweet clover
Search Trop Picture
 licorice - up to 5 mg/kg
Search Trop Picture
 passion fruit
Search Trop Picture
 plumcot fruit
Search PMC Picture
 tamarind
Search Trop Picture
 tea - up to 5 mg/kg
Search Trop Picture
 tomato - up to 5 mg/kg
Search Trop Picture
 zygopetalum crinitum
Search Trop Picture
 
Synonyms:
 citrylidene acetone
2,6-dimethyl undeca-2,6,8-triene-10-one
6,10-dimethyl undeca-3,5,9-trien-2-one
(3E,5E)-6,10-dimethyl-2-undeca-3,5,9-trienone
(3E,5E)-6,10-dimethyl-3,5,9-undecatrien-2-one
6,10-dimethyl-3,5,9-undecatrien-2-one
6,10-dimethyl-3,5,9-undecatriene-2-one
(3E,5E)-6,10-dimethyl-undeca-3,5,9-trien-2-one
2,6-dimethylhendeca-2,6,8-trien-10-one
(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one
.psi.-ionone
2-pseudoionone
phi-ionone
psi-ionone
3,5,9-undecatrien-2-one, 6,10-dimethyl-, (3E,5E)-
3,5,9-undecatrien-2-one, 6,10-dimethyl-, (E,E)-
 

Articles:

PubMed:Functional characterisation of three members of the Vitis vinifera L. carotenoid cleavage dioxygenase gene family.
PubMed:Volatile composition of six horsetails: prospects and perspectives.
PubMed:Nematicidal activity of terpenoids.
PubMed:Characterization of the rice carotenoid cleavage dioxygenase 1 reveals a novel route for geranial biosynthesis.
PubMed:Functional characterization of CmCCD1, a carotenoid cleavage dioxygenase from melon.
PubMed:Macroreticular p-(omega-sulfonic-perfluoroalkylated) polystyrene ion-exchange resins: a new type of selective solid acid catalyst.
PubMed:Carotenoid pigmentation affects the volatile composition of tomato and watermelon fruits, as revealed by comparative genetic analyses.
PubMed:The tomato carotenoid cleavage dioxygenase 1 genes contribute to the formation of the flavor volatiles beta-ionone, pseudoionone, and geranylacetone.
PubMed:Structure-activity relationships of retinoids in developmental toxicology. II. Influence of the polyene chain of the vitamin A molecule.
PubMed:Tomato carotenoid cleavage dioxygenases 1A and 1B: Relaxed double bond specificity leads to a plenitude of dialdehydes, mono-apocarotenoids and isoprenoid volatiles.
 
Notes:
Used as a food additive [EAFUS]
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