Articles:
1,1-diethoxy-3-methylbutane
Notes:
None found
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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): 3842-03-3 isoValeraldehyde Diethyl Acetal
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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): 09-66300 ISOVALERALDEHYDE DIETHYL ACETAL
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| CAS Number: | 3842-03-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 223-335-6 | |
| FDA UNII: | SD2G66V598 | |
| Nikkaji Web: | J133.526J | |
| MDL: | MFCD00051787 | |
| CoE Number: | 10014 | |
| XlogP3-AA: | 2.50 (est) | |
| Molecular Weight: | 160.25680000 | |
| Formula: | C9 H20 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: | 1730 isovaleraldehyde diethyl acetal |
| DG SANTE Food Flavourings: | 06.059 1,1-diethoxy-3-methylbutane |
| FEMA Number: | 4371 isovaleraldehyde diethyl acetal |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 3842-03-3 ; ISOVALERALDEHYDE DIETHYL ACETAL |
Physical Properties:
Organoleptic Properties:
| Odor Description: at 100.00 %. | fruity fatty |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| isoValeraldehyde Diethyl Acetal |
| Inoue Perfumery |
| ISOVALER ALDEHYDE DEA |
| Matrix Scientific |
| For experimental / research use only. |
| 1,1-Diethoxy-3-methylbutane |
| Penta International |
| ISOVALERALDEHYDE DIETHYL ACETAL |
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 | ||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for isovaleraldehyde diethyl acetal usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.51 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1600 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/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: 23 | |||
| Click here to view publication 23 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 5.00000 | 50.00000 | |
| beverages(nonalcoholic): | 10.00000 | 100.00000 | |
| beverages(alcoholic): | 1.00000 | 5.00000 | |
| breakfast cereal: | 1.00000 | 100.00000 | |
| cheese: | 1.00000 | 100.00000 | |
| chewing gum: | 5.00000 | 500.00000 | |
| condiments / relishes: | 1.00000 | 100.00000 | |
| confectionery froastings: | 1.00000 | 100.00000 | |
| egg products: | 1.00000 | 100.00000 | |
| fats / oils: | 1.00000 | 30.00000 | |
| fish products: | 1.00000 | 50.00000 | |
| frozen dairy: | 2.00000 | 50.00000 | |
| fruit ices: | 1.00000 | 50.00000 | |
| gelatins / puddings: | 2.00000 | 50.00000 | |
| granulated sugar: | - | - | |
| gravies: | 1.00000 | 100.00000 | |
| hard candy: | 10.00000 | 500.00000 | |
| imitation dairy: | 5.00000 | 500.00000 | |
| instant coffee / tea: | 2.00000 | 10.00000 | |
| jams / jellies: | 1.00000 | 50.00000 | |
| meat products: | 1.00000 | 100.00000 | |
| milk products: | 1.00000 | 100.00000 | |
| nut products: | 1.00000 | 100.00000 | |
| other grains: | 1.00000 | 50.00000 | |
| poultry: | 1.00000 | 100.00000 | |
| processed fruits: | 1.00000 | 50.00000 | |
| processed vegetables: | 0.10000 | 20.00000 | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 5.00000 | 500.00000 | |
| snack foods: | 1.00000 | 100.00000 | |
| soft candy: | 5.00000 | 500.00000 | |
| soups: | 1.00000 | 50.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 1.00000 | 50.00000 | |
| 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 | 150.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 2.00000 | 30.00000 | |
| Bakery wares (07.0): | 5.00000 | 100.00000 | |
| 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 | 15.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 4.00000 | 150.00000 | |
| 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): | |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 3 (FGE.03); Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes, and a orthoester of formic acid, from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf | |
| Flavouring Group Evaluation 3, Revision 1 (FGE.03Rev1): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 & 4 Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)on a request from the Commission View page or View pdf | |
| Flavouring Group Evaluation 61 (FGE.61): Consideration of aliphatic acyclic acetals evaluated by JECFA (57th meeting) structurally related to acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes, and an orthoester of formic acid evaluated by EFSA in FGE.03 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf | |
| Flavouring Group Evaluation 61, Revision 1 (FGE.61Rev1): Consideration of aliphatic acetals evaluated by JECFA (57th meeting) structurally related to acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes and one orthoester of formic acid evaluated View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 3, Revision 2 (FGE.03Rev2): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 and 4 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 3842-03-3 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 19695 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 1,1-diethoxy-3-methylbutane | |
| Chemidplus: | 0003842033 |
References:
| 1,1-diethoxy-3-methylbutane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 3842-03-3 |
| Pubchem (cid): | 19695 |
| Pubchem (sid): | 134985821 |
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 |
| FooDB: | FDB009657 |
| Export Tariff Code: | 2911.00.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| buttery | ||
| buttery | ||
| acetyl butyryl | FL/FR | |
| ethereal | ||
| decyl propionate | FL/FR | |
| fatty | ||
| allyl cyclohexyl hexanoate | FL/FR | |
| iso | butyl undecylenate | FL/FR |
| coconut absolute | FL/FR | |
| (Z)-3- | octen-1-ol | FL/FR |
| fruity | ||
| (E)-2- | hepten-1-yl acetate | FL/FR |
| octyl heptanoate | FL/FR | |
| gamma- | undecalactone (aldehyde C-14 (so-called)) | FL/FR |
| green | ||
| 3- | heptanone | FL/FR |
| herbal | ||
| benzyl octanoate | FL/FR | |
| oily | ||
| petal pyranone | FL/FR | |
| waxy | ||
| 9- | decenoic acid | FL/FR |
| For Flavor | ||
| No flavor group found for these | ||
| allyl cyclohexyl hexanoate | FL/FR | |
| benzyl octanoate | FL/FR | |
| iso | butyl undecylenate | FL/FR |
| decyl propionate | FL/FR | |
| (E)-2- | hepten-1-yl acetate | FL/FR |
| 3- | methyl-2-cyclopenten-1-one | FL |
| octyl heptanoate | FL/FR | |
| valeraldehyde diethyl acetal | FL | |
| creamy | ||
| acetyl butyryl | FL/FR | |
| gamma- | undecalactone (aldehyde C-14 (so-called)) | FL/FR |
| fatty | ||
| coconut absolute | FL/FR | |
| (Z)-3- | octen-1-ol | FL/FR |
| green | ||
| 3-(5- | methyl-2-furyl) butanal | FL |
| ketonic | ||
| 3- | heptanone | FL/FR |
| oily | ||
| petal pyranone | FL/FR | |
| waxy | ||
| 9- | decenoic acid | FL/FR |
Potential Uses:
| brandy | FL | |
| chocolate cocoa | FL | |
| grape | FR | |
| saffron | FR |
Occurrence (nature, food, other): note
| brandy Search PMC Picture | |
| calvados Search PMC Picture | |
| cocoa Search Trop Picture | |
| cognac - 0.2 mg/kg Search PMC Picture | |
| grape Search Trop Picture | |
| pepper bell pepper fruit Search Trop Picture | |
| rum - 13 mg/kg Search PMC Picture | |
| whiskey Search Picture | |
| wine Search Picture |
Synonyms:
| butane, 1,1-diethoxy-3-methyl- | |
| 1,1- | diethoxy-3-methyl butane |
| 1,1- | diethoxy-3-methylbutane |
| 1,1- | diethoxyisopentane |
| 3- | methyl butanal diethyl acetal |
| 3- | methylbutanal diethyl acetal |
| 3- | methylbutanal, diethyl acetal |
| iso | valer aldehyde DEA |
| iso | valeraldehyde, diethyl acetal |