Articles:
3,5,9-undecatrien-2-one, 6,10-dimethyl-, (3E,5E)-
Notes:
Used as a food additive [EAFUS]
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 141-10-6 pseudoIonone
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CJ Latta & Associates, LLC Extensive Line Aromatic Chemicals and Organic Acids. CJ Latta & Associates is a distributor of specialty aromatics and organic acids used in the formulation of flavors and fragrance manufactured worldwide. We pride ourselves on our reputation for, fair pricing, quality and reliability. We’ve built our business on successfully sourcing and developing many challenging specialty chemicals and fine ingredients for our clients. Email: Info US Email: Chip Latta Email: Sales US Email: Chip Latta Voice: (630) 240-8079 Product(s): SUEDO IONONE
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 16-86600 PSEUDOIONONE
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Ernesto Ventós S.A. Leaders in essence We employ our five senses to do our job well. Ventos has specialized in the distribution of raw materials for the flavour and fragrance industry. With more than 1700 references permanently available from stock, we offer a just-in-time response to our customer needs, being able to deliver from 1kg to several tonnes all over the world. Email: Information US Email: Information USA Email: Gemma Parramon (Europe) US Email: Gemma Parramon (Europe) Email: Jorge Sos (Asia) Email: Ramon Rubau (America) Voice: +34 934706210 Fax: +34 934733010 US Voice: +1 856 226 7501 Instagram Linkedin Youtube Press Ads Videos Product(s): pseudoIONONE BASF
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| CAS Number: | 141-10-6 |  3D/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, Edge 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 |
| DG SANTE Food Flavourings: | 07.198 pseudoionone |
| FEMA Number: | 4299 pseudoionone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 141-10-6 ; 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 mmHg @ 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) |
| Flavor Type: floral | |
| floral grassy balsamic citrus waxy fatty spicy terpenic | |
| Taste Description: | sweet floral grassy balsamic citrus waxy fatty spicy terpenic Luebke, William tgsc, (2008) |
| 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 |
| CJ Latta & Associates |
| SUEDO IONONE |
| Ernesto Ventós |
| pseudoIONONE BASF
Odor: SWEET, CITRIC, FLORAL, BALSAMIC |
| Penta International |
| PSEUDOIONONE |
| 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: | Dermal 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 | |||
| Click here to view publication 23 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 5.00000 | 25.00000 | |
| beverages(nonalcoholic): | 2.00000 | 10.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 2.00000 | 10.00000 | |
| cheese: | 3.00000 | 15.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | 2.00000 | 10.00000 | |
| confectionery froastings: | 4.00000 | 20.00000 | |
| egg products: | - | - | |
| fats / oils: | 2.00000 | 10.00000 | |
| fish products: | 1.00000 | 5.00000 | |
| frozen dairy: | 3.00000 | 15.00000 | |
| fruit ices: | 3.00000 | 15.00000 | |
| gelatins / puddings: | 5.00000 | 25.00000 | |
| granulated sugar: | - | - | |
| gravies: | 2.00000 | 10.00000 | |
| hard candy: | - | - | |
| imitation dairy: | 3.00000 | 15.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | 5.00000 | 25.00000 | |
| meat products: | 1.00000 | 5.00000 | |
| milk products: | 3.00000 | 15.00000 | |
| nut products: | - | - | |
| other grains: | 2.00000 | 10.00000 | |
| poultry: | 1.00000 | 5.00000 | |
| processed fruits: | 2.00000 | 10.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 2.00000 | 10.00000 | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | 2.00000 | 10.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 2.00000 | 10.00000 | |
| 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/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 3.00000 | 15.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 2.00000 | 10.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 3.00000 | 15.00000 | |
| Processed fruit (04.1): | 2.00000 | 10.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 4.00000 | 20.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 2.00000 | 10.00000 | |
| Bakery wares (07.0): | 5.00000 | 25.00000 | |
| Meat and meat products, including poultry and game (08.0): | 1.00000 | 5.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 1.00000 | 5.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 2.00000 | 10.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 3.00000 | 15.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 2.00000 | 10.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 4.00000 | 20.00000 | |
| Ready-to-eat savouries (15.0): | 5.00000 | 25.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 2.00000 | 10.00000 | |
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 |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | 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 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 |
| 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 |
Potential Blenders and core components note
Potential Uses:
| apricot | FL | |
| balsam | FR | |
| citronella | FR | |
| citrus | FL | |
| cranberry | FL | |
| currant black currant | FL | |
| gooseberry | FL | |
| lemon | FL | |
| woody | FR |
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-pseudo | ionone |
| 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)- |