2-methyl butyl octanoate
octanoic acid, 2-methylbutyl ester

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Name: 2-methylbutyl octanoate CAS Number: 67121-39-5 3D/inchi FDA UNII: Search Nikkaji Web: J1.031.919F XlogP3-AA: 4.80 (est) Molecular Weight: 214.34862000 Formula: C13 H26 O2 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 DG SANTE Food Flavourings: 09.664 2-methylbutyl octanoate   Physical Properties: Appearance: colorless clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.85700 to 0.86300 @ 25.00 °C. Pounds per Gallon - (est).: 7.131 to 7.181 Refractive Index: 1.42400 to 1.43000 @ 20.00 °C. Boiling Point: 248.00 to 249.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.024000 mmHg @ 25.00 °C. (est) Flash Point: 220.00 °F. TCC ( 104.44 °C. ) logP (o/w): 5.307 (est) Soluble in:   alcohol   water, 1.309 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl octanoate amyl octanoate isoamyl octanoate benzyl octanoate butyl octanoate isobutyl octanoate citronellyl octanoate ortho-cresyl octanoate para-cresyl octanoate decyl octanoate ethyl 4-methyl octanoate ethyl octanoate furfuryl octanoate geranyl octanoate heptyl octanoate (E)-2-hexen-1-yl octanoate (Z)-3-hexen-1-yl octanoate hexyl octanoate linalyl octanoate methyl octanoate nonyl octanoate octyl octanoate phenethyl octanoate propyl octanoate isopropyl octanoate sulfuryl octanoate   Organoleptic Properties: Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: 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 2-methyl butyl octanoate usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.37 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day) Threshold of Concern: 1800 (μg/person/day) Structure Class: I   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): 7.00000 35.00000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.00000 25.00000 Edible ices, including sherbet and sorbet (03.0): 10.00000 50.00000 Processed fruit (04.1): 7.00000 35.00000 Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): - - Confectionery (05.0): 10.00000 50.00000 Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.00000 25.00000 Bakery wares (07.0): 10.00000 50.00000 Meat and meat products, including poultry and game (08.0): 2.00000 10.00000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.00000 10.00000 Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.00000 25.00000 Foodstuffs intended for particular nutritional uses (13.0): 10.00000 50.00000 Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.00000 25.00000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.00000 50.00000 Ready-to-eat savouries (15.0): 20.00000 100.00000 Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.00000 25.00000   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): Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) 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 :530406 National Institute of Allergy and Infectious Diseases:Data 2-methylbutyl octanoate   References:   2-methylbutyl octanoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 530406 Pubchem (sid): 3744751   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 HMDB (The Human Metabolome Database): Search 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   apple fruit Search PMC Picture   champagne Search PMC Picture   cognac Search PMC Picture   hop Search Trop Picture   wine Search Picture   Synonyms: 2- methyl butyl caprylate 2- methylbutyl caprylate (-)-2- methylbutyl octanoate 2- methylbutyl octanoate   octanoic acid 2-methylbutyl ester   octanoic acid, 2-methylbutyl ester   Articles:   None found yet. 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Notes: None found