sec-butyl formate
formic acid 1-methylpropyl ester

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CAS Number: 589-40-2 3D/inchi Other(deleted CASRN): 133399-22-1 FDA UNII: Search Nikkaji Web: J95.001G CoE Number: 10532 XlogP3-AA: 1.50 (est) Molecular Weight: 102.13310000 Formula: C5 H10 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: 09.328 sec-butyl formate   Physical Properties: Appearance: colorless clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.87700 to 0.88300 @ 25.00 °C. Pounds per Gallon - (est).: 7.298 to 7.347 Refractive Index: 1.38600 to 1.39200 @ 20.00 °C. Boiling Point: 94.00 °C. @ 760.00 mm Hg Vapor Pressure: 38.207001 mmHg @ 25.00 °C. (est) Flash Point: 38.00 °F. TCC ( 3.33 °C. ) logP (o/w): 1.240 (est) Soluble in:   alcohol   water, slightly   water, 1.035e+004 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl formate amyl formate isoamyl formate para-anisyl formate benzyl formate bornyl formate isobornyl formate butyl formate isobutyl formate carvyl formate cedryl formate cinnamyl formate citronellyl formate para-cresyl formate cyclododecyl formate cyclohexyl formate 2-decalinyl formate decyl formate dimethyl benzyl carbinyl formate ethyl formate eugenyl formate isoeugenyl formate furfuryl formate S-furfuryl thioformate geranyl formate heptyl formate (E)-2-hexen-1-yl formate (E)-3-hexen-1-yl formate 3-hexen-1-yl formate (Z)-3-hexen-1-yl formate hexyl formate linalyl formate menthadienyl formate menthyl formate laevo-menthyl formate 2-methyl butyl formate methyl formate myrtenyl formate neryl formate nonisyl formate nonyl formate nopyl formate octyl formate 3-octyl formate phenethyl formate 2-phenoxyethyl formate 3-phenyl propyl formate prenyl formate propyl formate isopropyl formate isopulegyl formate rhodinyl formate styralyl formate sulfuryl formate terpinyl formate   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: oral-rat LD50 11300 mg/kg (Union Carbide Corp., 1980) oral-rat LD50 11300 uL/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. OTS0535261 Dermal Toxicity: skin-rabbit LD50 5670 ul/kg National Technical Information Service. Vol. OTS0535261 Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavoring agents Recommendation for sec-butyl formate 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): 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): 2.00000 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 Substance Registry Services (TSCA):589-40-2 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :79049 National Institute of Allergy and Infectious Diseases:Data butan-2-yl formate Chemidplus:0000589402   References:   butan-2-yl formate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 79049 Pubchem (sid): 135036453   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   cheese Search PMC Picture   fish Search PMC Picture   truffle Search Picture   Synonyms:   butan-2-yl formate 2- butyl formate sec- butyl methanoate   formic acid 1-methyl propyl ester   formic acid 1-methylpropyl ester   formic acid, 1-methylpropyl ester   formic acid, sec-butyl ester   formic acid, sec-butyl ester (8CI)   Articles:   None found yet. 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Notes: None found