3-methyl hexanal
3-methylhexanal

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  19269-28-4 3-Methylhexanal 95%

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Name: 3-methylhexanal 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 Chemical Sources Association   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   Articles:   None found yet. Try the PubMed Search.

Notes: Used as a food additive [EAFUS]