Articles:
| None found yet. Try the PubMed Search. |
homoethone
Notes:
None found
-
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): 103-13-9 1-p-Methoxyphenyl-1-penten-3-one
-
| CAS Number: | 103-13-9 |  3D/inchi
|
| MDL: | MFCD00026446 | |
| CoE Number: | 719 | |
| XlogP3-AA: | 3.00 (est) | |
| Molecular Weight: | 204.26892000 | |
| Formula: | C13 H16 O2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| CAS Number: | 103-13-9 (E) |  3D/inchi
|
| XlogP3-AA: | 3.00 (est) | |
| Molecular Weight: | 204.26892000 | |
| Formula: | C13 H16 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| CAS Number: | 103-13-9 (Z) |  3D/inchi
|
| XlogP3-AA: | 3.00 (est) | |
| Molecular Weight: | 204.26892000 | |
| Formula: | C13 H16 O2 | |
| 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 |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 829 1-(4-methoxyphenyl)-4-methyl-1-penten-3-one |
| DG SANTE Food Flavourings: | 07.049 1-(4-methoxyphenyl)-4-methylpent-1-en-3-one |
| FEMA Number: | 3760 homoethone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 103-13-9 ; 1-(4-METHOXYPHENYL)-4-METHYL-1-PENTEN-3-ONE |
| 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: | colorless clear oily liquid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.01600 to 1.02600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.454 to 8.537 |
| Refractive Index: | 1.51000 to 1.51500 @ 20.00 °C. |
| Melting Point: | 28.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 217.00 to 219.00 °C. @ 40.00 mm Hg |
| Boiling Point: | 201.00 °C. @ 10.00 mm Hg |
| Vapor Pressure: | 0.000080 mmHg @ 25.00 °C. (est) |
| Flash Point: | 302.00 °F. TCC ( 150.00 °C. ) |
| logP (o/w): | 3.011 (est) |
| Soluble in: | |
| alcohol | |
| water, very slightly | |
| water, 108.1 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: caramellic | |
| Odor Strength: | low , recommend smelling in a 10.00 % solution or less |
| caramellic fruity buttery | |
| Odor Description: at 10.00 % in dipropylene glycol. | caramel fruity buttery |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| 1-Penten-3-one,1-(4-methoxyphenyl)-4-methyl- |
| BOC Sciences |
| For experimental / research use only. |
| 1-p-Methoxyphenyl-1-penten-3-one |
| Parchem |
| alpha,alpha-dimethyl anisyl acetone |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 1-(4-Methoxyphenyl)-4-methyl-1-penten-3-one |
Safety Information:
| Preferred SDS: View | |
| 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 Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for alpha,alpha-dimethyl anisyl acetone usage levels up to: | |||
| 0.2000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.30 (μg/capita/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: 15 | |||
| Click here to view publication 15 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 10.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| 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: | - | - | |
| 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): | 3.76000 | - | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.10000 | - | |
| Edible ices, including sherbet and sorbet (03.0): | 0.55000 | - | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 6.06500 | - | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 30.00000 | - | |
| Bakery wares (07.0): | 4.12500 | - | |
| Meat and meat products, including poultry and game (08.0): | 6.88500 | - | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 10.00000 | - | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.40000 | - | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 1.48500 | - | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 1.00000 | - | |
| Ready-to-eat savouries (15.0): | - | - | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | - | - | |
Safety References:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of aromatic substituted secondary alcohols, ketones, and related esters used as flavor ingredients. View pdf | |
| 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): | |
| Scientific Opinion on Flavouring Group Evaluation 215 (FGE.215): Seven a,ß-Unsaturated Cinnamyl Ketones from subgroup 3.2 of FGE.19 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 215 Revision 1 (FGE.215Rev1): seven a,ß-unsaturated cinnamyl ketones from subgroup 3.2 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): | 103-13-9 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 61003 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 1-(4-methoxyphenyl)-4-methylpent-1-en-3-one | |
| Chemidplus: | 0000103139 |
| (E)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one | |
| (Z)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one | |
References:
| 1-(4-methoxyphenyl)-4-methylpent-1-en-3-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 103-13-9 |
| Pubchem (cid): | 61003 |
| Pubchem (sid): | 505419 |
| (E)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 103-13-9 |
| Pubchem (cid): | 5373780 |
| Pubchem (sid): | 10426697 |
| (Z)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 103-13-9 |
| Pubchem (cid): | 6435821 |
| Pubchem (sid): | 197224 |
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): | Search |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| butter | FR | |
| butterscotch | FR | |
| caramel | FL |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| homo | ethone |
| 1-(4- | methoxyphenyl)-4-methyl-1-penten-3-one |
| 1-(p- | methoxyphenyl)-4-methyl-1-penten-3-one |
| 1-(para- | methoxyphenyl)-4-methyl-1-penten-3-one |
| 1-(4- | methoxyphenyl)-4-methylpent-1-en-3-one |
| p- | methoxystyryl isopropyl ketone |
| para- | methoxystyryl isopropyl ketone |
| 1- | penten-3-one, 1-(4-methoxyphenyl)-4-methyl- |
| iso | propyl 4-methoxystyryl ketone |
| iso | propyl p-methoxystyryl ketone |