tert-butyl propionate
propionic acid t-butyl ester

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  Product(s):
  20487-40-5 tert-Butyl Propionate

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  Product(s):
  B3327 tert-Butyl Propionate >98.0%(GC)
  SDS

Name: tert-butyl propanoate CAS Number: 20487-40-5 3D/inchi FDA UNII: 43953CC10D Nikkaji Web: J100.394A Beilstein Number: 1747857 MDL: MFCD00009304 XlogP3-AA: 1.60 (est) Molecular Weight: 130.18698000 Formula: C7 H14 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) 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: 09.356 1,1-dimethylethyl propionate   Physical Properties: Appearance: colorless clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.86200 to 0.86800 @ 25.00 °C. Pounds per Gallon - (est).: 7.173 to 7.223 Refractive Index: 1.39000 to 1.39600 @ 20.00 °C. Boiling Point: 118.25 °C. @ 760.00 mm Hg Vapor Pressure: 14.530000 mmHg @ 25.00 °C. (est) Flash Point: 69.00 °F. TCC ( 20.56 °C. ) logP (o/w): 2.059 (est) Soluble in:   alcohol   water, 1152 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl propionate allyl thiopropionate amyl propionate isoamyl propionate para-anisyl propionate benzyl propionate bornyl propionate isobornyl propionate butyl propionate isobutyl propionate carvyl propionate cinnamyl propionate citronellyl propionate para-cresyl propionate cyclohexyl propionate cyclotene propionate decyl propionate dewy propionate dicyclopentadiene propionate dimethyl benzyl carbinyl propionate dodecyl propionate ethyl propionate eugenyl propionate furfuryl propionate furfuryl thiopropionate geranyl propionate guaiacyl propionate heptyl propionate (E)-2-hexen-1-yl propionate (Z)-3-hexen-1-yl propionate hexyl propionate linalyl propionate maltyl propionate menthyl propionate laevo-menthyl propionate 2-methyl butyl propionate methyl propionate nerolidyl propionate neryl propionate nonisyl propionate nonyl propionate (Z)-3-octen-1-yl propionate (Z)-5-octen-1-yl propionate octyl propionate phenethyl propionate phenoxyethyl propionate 3-phenyl propyl propionate propyl propionate isopropyl propionate rhodinyl propionate sorbyl propionate styralyl propionate sulfuryl propionate terpinyl propionate tetrahydrofurfuryl propionate tricyclodecenyl propionate   Organoleptic Properties: Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. tert-Butyl Propionate Santa Cruz Biotechnology For experimental / research use only. tert-Butyl Propionate Sigma-Aldrich: Aldrich For experimental / research use only. tert-Butyl propionate 99% sds TCI AMERICA For experimental / research use only. tert-Butyl Propionate >98.0%(GC) sds   Safety Information: Preferred SDS: View European information : Most important hazard(s): Xi - Irritant R 11 - Highly flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.   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 tert-butyl propionate 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: 540 (μg/person/day) Structure Class: II   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 18 (FGE.18): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical group 6 View page or View pdf Flavouring Group Evaluation 18, Revision 1 (FGE. 18 Rev1)[1] : Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 90 (FGE.90): Consideration of Aliphatic, acyclic and alicyclic terpenoid tertiary alcohols and structurally related substances evaluated by JECFA (68th meeting)FGE.18Rev1 (2009) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 18, Revision 2 (FGE.18Rev2): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8. View page or View pdf Scientific Opinion on Flavouring Group Evaluation 18, Revision 3 (FGE.18Rev3): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8. 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 :88561 National Institute of Allergy and Infectious Diseases:Data WISER:UN 3272 WGK Germany:3 tert-butyl propanoate Chemidplus:0020487405   References:   tert-butyl propanoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 88561 Pubchem (sid): 135045060 Pherobase: View   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 Export Tariff Code: 2915.50.3000 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   polygonum hydropiper Search Trop Picture   Synonyms: tert- butyl propanoate 1,1- dimethyl ethyl propionate   dimethylethyl propionate 1,1- dimethylethyl propionate   propanoic acid 1,1-dimethyl ethyl ester   propanoic acid 1,1-dimethylethyl ester   propanoic acid, 1,1-dimethylethyl ester   propionic acid t-butyl ester   propionic acid, tert-butyl ester   Articles:   None found yet. 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Notes: None found