sec-heptyl isovalerate
2-heptanyl 3-methylbutanoate

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CAS Number: 238757-71-6 3D/inchi FDA UNII: Search CoE Number: 10806 XlogP3-AA: 5.20 (est) Molecular Weight: 200.32168000 Formula: C12 H24 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: 09.304 sec-heptyl isovalerate   Physical Properties: Appearance: colorless clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.86700 to 0.87300 @ 25.00 °C. Pounds per Gallon - (est).: 7.214 to 7.264 Refractive Index: 1.42300 to 1.42900 @ 20.00 °C. Boiling Point: 235.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.100000 mmHg @ 25.00 °C. (est) Flash Point: 197.00 °F. TCC ( 91.80 °C. ) (est) logP (o/w): 4.590 (est) Soluble in:   alcohol   water, 9.007 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl valerate allyl isovalerate amyl valerate amyl isovalerate isoamyl valerate isoamyl isovalerate para-anisyl isovalerate para-anisyl valerate benzyl valerate benzyl isovalerate bornyl valerate bornyl isovalerate (-)-bornyl isovalerate isobornyl isovalerate S-sec-butyl thioisovalerate butyl valerate butyl isovalerate isobutyl valerate isobutyl isovalerate carvyl isovalerate cinnamyl valerate cinnamyl isovalerate citronellyl valerate citronellyl isovalerate para-cresyl valerate para-cresyl isovalerate cyclohexyl valerate cyclohexyl isovalerate cyclotene isovalerate decyl valerate decyl isovalerate ethyl valerate ethyl isovalerate eugenyl isovalerate furfuryl isovalerate furfuryl valerate geranyl valerate geranyl isovalerate (E)-2-hepten-1-yl isovalerate heptyl isovalerate heptyl valerate (E)-2-hexen-1-yl valerate (E)-2-hexen-1-yl isovalerate (Z)-3-hexen-1-yl valerate (Z)-3-hexen-1-yl isovalerate hexyl valerate hexyl isovalerate linalyl valerate linalyl isovalerate menthyl valerate menthyl isovalerate methyl 2-methyl valerate methyl 4-methyl valerate 2-methyl butyl isovalerate 4-methyl pentyl isovalerate methyl thio isovalerate methyl valerate methyl isovalerate myrtenyl isovalerate neryl isovalerate nonyl isovalerate nonyl valerate octyl valerate octyl isovalerate phenethyl isovalerate 2-phenethyl valerate 3-phenyl propyl isovalerate phenyl propyl valerate S-prenyl thioisovalerate isopropyl thioisovalerate propyl valerate propyl isovalerate isopropyl valerate isopropyl isovalerate rhodinyl isovalerate terpinyl isovalerate terpinyl valerate   Organoleptic Properties: Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Aston Chemical For experimental / research use only. Butanoic acid,3-methyl-, 1-methylhexyl ester 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 sec-heptyl isovalerate usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (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): Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (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 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf Flavouring Group Evaluation 7, Revision 3 (FGE.07Rev3): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 7, Revision 4 (FGE.07Rev4): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 7, Revision 5 (FGE.07Rev5): saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 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 :53249450 National Institute of Allergy and Infectious Diseases:Data 3-methyl-2-propan-2-yloctanoate   References:   3-methyl-2-propan-2-yloctanoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 53249450 Pubchem (sid): 124372619   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   banana fruit Search Trop Picture   Synonyms:   butanoic acid, 3-methyl-, 1-methylhexyl ester   butanoic acid,3-methyl-, 1-methylhexyl ester 2- heptanyl 3-methylbutanoate 1- methyl hexyl 3-methyl butanoate 3- methyl-2-propan-2-yloctanoate 1- methylhexyl 3-methylbutanoate 1- methylhexyl-3-methylbutanoate   Articles:   None found yet. 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Notes: None found