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2-methyloctanal
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): 7786-29-0 2-Methyloctanal
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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): 13-51300 METHYL HEXYL ACETALDEHYDE
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| CAS Number: | 7786-29-0 |  3D/inchi
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| Other(deleted CASRN): | 72598-55-1 | |
| ECHA EINECS - REACH Pre-Reg: | 232-093-0 | |
| FDA UNII: | L193398KLN | |
| Nikkaji Web: | J65.643G | |
| MDL: | MFCD00216765 | |
| CoE Number: | 113 | |
| XlogP3-AA: | 3.30 (est) | |
| Molecular Weight: | 142.24166000 | |
| Formula: | C9 H18 O | |
| NMR Predictor: | Predict (works with chrome, Edge 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: | 270 2-methyloctanal |
| DG SANTE Food Flavourings: | 05.024 2-methyloctanal |
| FEMA Number: | 2727 2-methyloctanal |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 7786-29-0 ; 2-METHYLOCTANAL |
| 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: | 90.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.82200 to 0.83000 @ 20.00 °C. |
| Pounds per Gallon - est.: | 6.848 to 6.914 |
| Refractive Index: | 1.42300 @ 14.00 °C. |
| Boiling Point: | 82.00 to 83.00 °C. @ 20.00 mm Hg |
| Acid Value: | 10.00 max. KOH/g |
| Vapor Pressure: | 0.759000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 156.00 °F. TCC ( 68.89 °C. ) |
| logP (o/w): | 3.305 (est) |
| Soluble in: | |
| alcohol | |
| dipropylene glycol | |
| water, 152.1 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Stability: | |
| bath foam | |
| hair spray | |
| non-discoloring in most media | |
| soap | |
Organoleptic Properties:
| Odor Type: floral | |
| floral rose lily muguet | |
| Odor Description: at 100.00 %. | floral rose lily muguet |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 2-Methyloctanal |
| Nagar Haveli Perfumes & Aromatics |
| 2-Methyl Octanal
Odor: Floral rose lily |
| Parchem |
| 2-methyl octanal |
| Penta International |
| METHYL HEXYL ACETALDEHYDE |
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. | |
| Human Experience: | |
| 10 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 753, 1982. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 753, 1982. | |
| 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 2-methyl octanal usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| 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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 2.00000 | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.00000 | |
| fruit ices: | - | 1.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.00000 | |
| 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: | - | - | |
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 7786-29-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 24583 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 2-methyloctanal | |
| Chemidplus: | 0007786290 |
References:
| 2-methyloctanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 7786-29-0 |
| Pubchem (cid): | 24583 |
| Pubchem (sid): | 134991370 |
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): | HMDB31684 |
| FooDB: | FDB008345 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| aldehydic | FR | |
| clover | FR | |
| diffusion | ||
| grapefruit | FR | |
| lily | FR | |
| melon | FR |
Occurrence (nature, food, other): note
| teucrium polium Search Trop Picture |
Synonyms:
| methyl hexyl acetaldehyde | |
| 2- | methyl octanal |
| alpha- | methyl octanal |
| 2- | methyl octanaldehyde |
| methylhexylacetaldehyde | |
| 2- | methyloctanal |
| a- | methyloctanal |
| octanal, 2-methyl- |