thymyl acetate
phenol, 5-methyl-2-(1-methylethyl)-, acetate

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  528-79-0 Thymol Acetate

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  THYMYL ACETATE

Name: (5-methyl-2-propan-2-ylphenyl) acetate CAS Number: 528-79-0 3D/inchi ECHA EINECS - REACH Pre-Reg: 208-442-8 FDA UNII: 6I29126I5V Nikkaji Web: J6.677J CoE Number: 2308 XlogP3: 3.00 (est) Molecular Weight: 192.25792000 Formula: C12 H16 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavor and fragrance 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: 09.253 2-isopropyl-5-methylphenyl acetate   Physical Properties: Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Refractive Index: 1.53100 to 1.53700 @ 20.00 °C. Melting Point: 28.00 to 30.00 °C. @ 760.00 mm Hg Boiling Point: 241.00 to 243.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.029000 mmHg @ 25.00 °C. (est) Flash Point: 202.00 °F. TCC ( 94.44 °C. ) logP (o/w): 3.031 (est) Soluble in:   alcohol   water, 40.9 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: BOC Sciences For experimental / research use only. Thymol Acetate Ernesto Ventós THYMYL ACETATE Odor: THYMOL, SWEET, BALSAMIC 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: flavor and fragrance agents RIFM Fragrance Material Safety Assessment: Search IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice Recommendation for thymyl acetate usage levels up to:   1.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 1.10 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 420 (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): 0.50000 2.50000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.20000 1.00000 Edible ices, including sherbet and sorbet (03.0): 0.50000 2.50000 Processed fruit (04.1): 0.40000 2.00000 Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): - - Confectionery (05.0): 1.00000 5.00000 Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.20000 1.00000 Bakery wares (07.0): 2.00000 10.00000 Meat and meat products, including poultry and game (08.0): 0.20000 1.00000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.20000 1.00000 Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.30000 1.50000 Foodstuffs intended for particular nutritional uses (13.0): 0.50000 2.50000 Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.20000 1.00000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.00000 5.00000 Ready-to-eat savouries (15.0): 2.00000 10.00000 Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.40000 2.00000   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 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (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 Flavouring Group Evaluation 60 (FGE.60): Consideration of eugenol and related hydroxyallylbenzene derivatives evaluated by JECFA (65th meeting) structurally related to ring- substituted phenolic substances evaluated by EFSA in FGE.22 (2006) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25 View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):528-79-0 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :68252 National Institute of Allergy and Infectious Diseases:Data (5-methyl-2-propan-2-ylphenyl) acetate Chemidplus:0000528790   References:   (5-methyl-2-propan-2-ylphenyl) acetate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 528-79-0 Pubchem (cid): 68252 Pubchem (sid): 135026033 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 CHEBI: View CHEMBL: View KEGG (GenomeNet): C09909 HMDB (The Human Metabolome Database): Search FooDB: FDB014796 Typical G.C. 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   boldo leaf oil italy @ 0.03% Data GC Search Trop Picture   boldus leaf oil chile @ 0.01% Data GC Search Trop Picture   lippia aff. gracillis h.b.k. leaf oil brazil @ 0.40% Data GC Search Trop Picture   oregano shoot Search Trop Picture   thyme - less than 1000 mg/kg Search Picture   thyme plant Search Trop Picture   thymus richardii pers. subsp. nitidus (guss.) jalas oil italy @ trace% Data GC Search Trop Picture   Synonyms:   acetic acid thymyl ester   acetyl thymol 5- methyl-2-(1-methyl ethyl) phenol acetate 5- methyl-2-(propan-2-yl)phenyl acetate (5- methyl-2-propan-2-ylphenyl) acetate   phenol, 5-methyl-2-(1-methylethyl)-, acetate 2-iso propyl-5-methyl phenyl acetate 2-iso propyl-5-methylphenyl acetate   thymol acetate   thymol, acetate   thymyl acetate   Articles:   None found yet. 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Notes: None found