isoeugenyl isovalerate
2-methoxy-4-[(1E)-prop-1-en-1-yl]phenyl 3-methylbutanoate

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Name: [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate CAS Number: 60958-23-8 3D/inchi ECHA EINECS - REACH Pre-Reg: 262-537-9 FDA UNII: 35E7JVG2G5 Nikkaji Web: J268.361J XlogP3-AA: 3.90 (est) Molecular Weight: 248.32200000 Formula: C15 H20 O3 NMR Predictor: Predict (works with chrome, Edge or firefox) Name: [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate CAS Number: 61114-23-6 3D/inchi FDA UNII: Search Nikkaji Web: J268.361J XlogP3-AA: 3.90 (est) Molecular Weight: 248.32200000 Formula: C15 H20 O3 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: CASrn 61114-23-6 to be introduced in the Register (EFFA, 2004ae). The CASrn does not specify isomer. Mixture of E & Z isomers (EFFA, 2010a). Composition of mixture to be specified. 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: 09.894 2-methoxy-4-(prop-1-enyl) phenyl 3-methylbutyrate   Physical Properties: Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Boiling Point: 327.00 to 328.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.000205 mmHg @ 25.00 °C. (est) Flash Point: 274.00 °F. TCC ( 134.44 °C. ) logP (o/w): 3.955 (est) Soluble in:   alcohol   water, 4.349 mg/L @ 25 °C (est) Insoluble in:   water   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: 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   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 2300 (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): - - 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 30 (FGE.30): 2-Methoxy-4-(prop-1-enyl)phenyl 3-methylbutyrate from chemical group 17 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 81 (FGE.81): Consideration of hydroxypropenylbenzenes evaluated by JECFA (61st meeting) structurally related to 2-methoxy-4-(prop-1-enyl)phenyl 3-methylbutyrate from chemical group 17 evaluated by EFSA in FGE.30 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 30, Revision 1 (FGE.30Rev1): 4-Prop-1-enylphenol and 2-methoxy-4-(prop-1-enyl)phenyl 3-methylbutyrate from chemical group 17 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 :6428969 National Institute of Allergy and Infectious Diseases:Data [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate Chemidplus:0060958238 [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate Chemidplus:0061114236   References:   [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 6428969 Pubchem (sid): 135211590 Pherobase: View   [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 6428969 Pubchem (sid): 759630   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 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   anise seed Search Trop Picture   valerian rhizome oil @ 0.1-1.1% Data GC Search Trop Picture   Synonyms:   butanoic acid, 3-methyl-, 2-methoxy-4-[(1E)-1-propen-1-yl]phenyl ester iso eugenyl isopentanoate (E)-2- methoxy-4-(1-propenyl) phenyl isovalerate (E)-2- methoxy-4-(1-propenyl)phenyl isovalerate 2- methoxy-4-(prop-1-enyl) phenyl 3-methyl butyrate 2- methoxy-4-(prop-1-enyl) phenyl 3-methylbutyrate 2- methoxy-4-[(1E)-prop-1-en-1-yl]phenyl 3-methylbutanoate [2- methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate   Articles:   None found yet. Try the PubMed Search.

Notes: None found