Articles:
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3-methylhexanal
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): 19269-28-4 3-Methylhexanal 95%
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 19269-28-4 |  3D/inchi
|
| FDA UNII: | XUF7U8UTGI | |
| Nikkaji Web: | J121.732A | |
| Beilstein Number: | 1699485 | |
| MDL: | MFCD19622807 | |
| XlogP3-AA: | 2.10 (est) | |
| Molecular Weight: | 114.18778000 | |
| Formula: | C7 H14 O | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| EFSA/JECFA Comments: | Racemate | |
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: | 2173 3-methylhexanal |
| DG SANTE Food Flavourings: | 05.219 3-methylhexanal |
| FEMA Number: | 4261 3-methylhexanal |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 19269-28-4 ; 3-METHYLHEXANAL |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 98.70 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.74500 to 0.81100 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 6.199 to 6.748 |
| Refractive Index: | 1.40100 to 1.40500 @ 20.00 °C. |
| Boiling Point: | 143.00 to 144.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 5.920000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 91.00 °F. TCC ( 32.60 °C. ) (est) |
| logP (o/w): | 2.286 (est) |
| Soluble in: | |
| alcohol | |
| water, 1348 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Description: | sweet green |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 3-Methylhexanal 95% |
| Parchem |
| 3-methyl hexanal |
| Sigma-Aldrich |
| For experimental / research use only. |
| 3-Methylhexanal analytical standard |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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: | flavoring agents | ||
| Recommendation for 3-methyl hexanal usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.12 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | N/A (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: | - | - | |
| beverages(nonalcoholic): | 0.50000 | 0.50000 | |
| beverages(alcoholic): | 0.50000 | 0.50000 | |
| breakfast cereal: | 0.50000 | 0.50000 | |
| cheese: | - | - | |
| chewing gum: | 0.50000 | 0.50000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 0.50000 | 0.50000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.50000 | 0.50000 | |
| fruit ices: | 0.50000 | 0.50000 | |
| gelatins / puddings: | 0.50000 | 0.50000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 0.50000 | 0.50000 | |
| imitation dairy: | 0.50000 | 0.50000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 0.50000 | 0.50000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 0.50000 | 0.50000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 0.50000 | 0.50000 | |
| snack foods: | 0.50000 | 0.50000 | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | 0.50000 | 0.50000 | |
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 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific Opinion of the 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 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 140511 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 3-methylhexanal | |
| Chemidplus: | 0019269284 |
References:
| 3-methylhexanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 140511 |
| Pubchem (sid): | 135096003 |
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): | HMDB32405 |
| FooDB: | FDB009840 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| pork Search PMC Picture |
Synonyms:
| hexanal, 3-methyl- | |
| 3- | methylhexanal |