butyl angelate
butyl (Z)-2-methyl isocrotonate

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  103994 Butyl Angelate

Name: butyl (Z)-2-methylbut-2-enoate CAS Number: 7785-64-0 3D/inchi ECHA EINECS - REACH Pre-Reg: 232-084-1 FDA UNII: Search Nikkaji Web: J213.481K XlogP3: 3.10 (est) Molecular Weight: 156.22492000 Formula: C9 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: 09.321 butyl 2-methylbut-2(cis)-enoate   Physical Properties: Appearance: colorless clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.90600 to 0.91200 @ 25.00 °C. Pounds per Gallon - (est).: 7.539 to 7.589 Refractive Index: 1.43200 to 1.43800 @ 20.00 °C. Boiling Point: 193.00 to 194.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.459000 mmHg @ 25.00 °C. (est) Flash Point: 162.00 °F. TCC ( 72.22 °C. ) logP (o/w): 3.244 (est) Soluble in:   alcohol   water, very slightly   water, 142.2 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: winey winey fruity rose spicy Odor Description:at 100.00 %. wine fruity rose spicy Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: Nagar Haveli Perfumes & Aromatics Butyl Angelate Odor: wine fruity rose spicy Soda Aromatic Butyl Angelate 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 butyl angelate usage levels up to:   3.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (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) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 View page or View pdf Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - 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 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 71: Consideration of aliphatic, linear, alpha,beta-unsaturated carboxylic acids and related esters View page or View pdf Flavouring Group Evaluation 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) View page or View pdf Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 95 (FGE.95): Consideration of aliphatic, linear or branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (69th meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05Rev1 (2008) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 5, Revision 3 (FGE.05Rev3): Branched- and straight-chain unsaturated aldehydes, dienals, unsaturated and saturated carboxylic acids and related esters with saturated and unsaturated aliphatic alcohols and a phenylacetic acid related ester from chemical groups 1, 2, 3, 5 and 15 View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):7785-64-0 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :5364789 National Institute of Allergy and Infectious Diseases:Data butyl (Z)-2-methylbut-2-enoate Chemidplus:0007785640   References:   butyl (Z)-2-methylbut-2-enoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 7785-64-0 Pubchem (cid): 5364789 Pubchem (sid): 135038785 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 FooDB: FDB004833 Typical G.C. VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor aromatic damascone carboxylate FR balsamic cinnamyl butyrate FL/FR cinnamyl cinnamate FL/FR ethyl cinnamate FL/FR terpinyl cinnamate FL/FR tolu balsam oil FL/FR caramellic diethyl malate FL/FR 5- ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one FL/FR cheesy 2- heptanone FL/FR earthy amyl octanoate FL/FR ethereal iso amyl acetoacetate FL/FR iso butyl alcohol FL/FR methyl acetate FL/FR 2- methyl-1-butanol FL/FR fatty butyl undecylenate FL/FR fermented methyl decanoate FL/FR 3- methyl-1-pentanol FL/FR floral benzyl formate FL/FR benzyl isobutyrate FL/FR cassis buteneone FR citronellal diisotridecyl acetal FR (S)- citronellyl acetate FL/FR citronellyl acetate FL/FR citronellyl anthranilate FL/FR citronellyl hexanoate FL/FR citronellyl propionate FL/FR (E)- citronellyl tiglate FL/FR 3- cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester FR beta- damascenone FL/FR delta- damascone FL/FR (Z)-4- decen-1-yl acetate FL/FR dimethyl anthranilate FL/FR dimethyl benzyl carbinyl acetate FL/FR ethyl linalyl acetate FR ethyl ortho-anisate FL/FR eucalyptus macarthurii oil FR geraniol FL/FR geranium oil bourbon FL/FR geranium oil egypt fractions FR geranium rose-scented oil cuba FR geranyl formate FL/FR geranyl isobutyrate FL/FR geranyl phenyl acetate FL/FR geranyl propionate FL/FR geranyl valerate FL/FR 2- hexylidene cyclopentanone FL/FR phenethyl isobutyrate FL/FR phenethyl isovalerate FL/FR phenethyl pivalate FL/FR phenethyl propionate FL/FR 2- phenethyl valerate FL/FR rhodinyl acetate FL/FR rhodinyl butyrate FL/FR rhodinyl isobutyrate FL/FR rosa odorata flower oil FR rose butanoate FL/FR rose carboxylate FR rose concrete (rosa damascena) FR rose oil (rosa damascena) russia FL/FR (Z)- rose oxide FL/FR styralyl propionate FL/FR fresh 10- undecen-1-yl acetate FL/FR fruity allyl isononylate FR para- anisyl methyl ketone FL/FR iso butyl acetoacetate FL/FR butyl anthranilate FL/FR butyl hexanoate FL/FR diethyl laevo-tartrate FL/FR diethyl sebacate FL/FR dodecyl propionate FL/FR ethyl 2-ethyl acetoacetate FL/FR ethyl 3,5,5-trimethyl hexanoate FR ethyl heptanoate FL/FR (E)- ethyl tiglate FL/FR (E,Z)-6- ethyl-5,7-dimethyl-2,5-octadien-4-one FR farnesyl acetone FL/FR geranyl acetoacetate FL/FR geranyl butyrate FL/FR methyl nonanoate FL/FR octyl formate FL/FR 2- pentanone FL/FR (E,E)- pomarose FR propyl 2-methyl butyrate FL/FR propyl heptanoate FL/FR sorbyl butyrate FL/FR thesaron (Takasago) FR green benzaldehyde dimethyl acetal FL/FR green cognac oil FL/FR (Z)-3- hexen-1-yl butyrate FL/FR hexyl isobutyrate FL/FR hexyl phenyl acetate FL/FR octanal diethyl acetal FL/FR herbal iso amyl tiglate FL/FR white cognac oil FL/FR ethyl chrysanthemate FR geranium cyclohexane FR geranyl octanoate FL/FR lavender absolute bulgaria FL/FR linalyl formate FL/FR nonisyl acetate FR phenethyl senecioate FL/FR honey methyl hydrocinnamate FL/FR spicy alpha- amyl cinnamyl alcohol FL/FR cinnamyl propionate FL/FR elemi oil fractions FR (E)- propyl 2-furan acrylate FL/FR waxy allyl nonanoate FL/FR iso amyl laurate FL/FR dihydrocitronellyl acetate FL/FR ethyl nonanoate FL/FR ethyl octanoate FL/FR winey 2- hexanol FL/FR methyl 3-acetoxyoctanoate FL/FR woody kaempferia galanga rhizome oil FL/FR santalyl butyrate FL/FR For Flavor No flavor group found for these amyl octanoate FL/FR iso amyl tiglate FL/FR 2- amyl-5 or 6-keto-1,4-dioxane FL benzyl methyl tiglate FL 2- butyl furan FL iso butyraldehyde propylene glycol acetal FL (Z)-4- decen-1-yl acetate FL/FR diethyl laevo-tartrate FL/FR diethyl malate FL/FR dihydrocitronellyl acetate FL/FR dodecyl propionate FL/FR ethyl 3-hydroxyoctanoate FL ethyl aconitate FL ethyl ortho-anisate FL/FR 5- ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one FL/FR farnesyl acetone FL/FR geranyl acetoacetate FL/FR geranyl octanoate FL/FR geranyl valerate FL/FR 2- hexanol FL/FR 2- hexylidene cyclopentanone FL/FR methyl 3-acetoxyoctanoate FL/FR methyl hydrocinnamate FL/FR oenanthic ether FL phenethyl senecioate FL/FR 2- phenethyl valerate FL/FR propyl 2-methyl butyrate FL/FR santalyl butyrate FL/FR sorbyl propionate FL hexyl 3-mercaptobutanoate FL balsamic balsamic ethyl cinnamate FL/FR phenethyl pivalate FL/FR tolu balsam oil FL/FR camphoreous kaempferia galanga rhizome oil FL/FR caramellic 5- ethyl-3,4,5,6-tetramethyl cyclohexen-2-one FL cheesy 2- heptanone FL/FR citrus styralyl propionate FL/FR ethereal iso butyl alcohol FL/FR methyl acetate FL/FR 2- methyl-1-butanol FL/FR fatty iso amyl laurate FL/FR methyl decanoate FL/FR floral cinnamyl propionate FL/FR (S)- citronellyl acetate FL/FR citronellyl acetate FL/FR citronellyl hexanoate FL/FR citronellyl propionate FL/FR dimethyl benzyl carbinyl acetate FL/FR geraniol FL/FR geranium oil bourbon FL/FR geranyl isobutyrate FL/FR geranyl phenyl acetate FL/FR phenethyl propionate FL/FR rhodinyl acetate FL/FR rhodinyl butyrate FL/FR rhodinyl isobutyrate FL/FR rose oil (rosa damascena) russia FL/FR fruity iso amyl acetoacetate FL/FR benzyl formate FL/FR benzyl isobutyrate FL/FR iso butyl acetoacetate FL/FR butyl anthranilate FL/FR butyl hexanoate FL/FR citronellyl anthranilate FL/FR diethyl sebacate FL/FR dimethyl anthranilate FL/FR ethyl 2-ethyl acetoacetate FL/FR ethyl heptanoate FL/FR (E)- ethyl tiglate FL/FR geranyl butyrate FL/FR hexyl phenyl acetate FL/FR 2- pentanone FL/FR phenethyl isovalerate FL/FR (E)- propyl 2-furan acrylate FL/FR rose butanoate FL/FR sorbyl butyrate FL/FR terpinyl cinnamate FL/FR fusel white cognac oil FL/FR green cognac oil FL/FR greasy 10- undecen-1-yl acetate FL/FR green benzaldehyde dimethyl acetal FL/FR (E)- citronellyl tiglate FL/FR geranyl formate FL/FR (Z)-3- hexen-1-yl butyrate FL/FR hexyl isobutyrate FL/FR octanal diethyl acetal FL/FR octyl formate FL/FR (Z)- rose oxide FL/FR herbal lavender absolute bulgaria FL/FR linalyl formate FL/FR honey phenethyl isobutyrate FL/FR musty propionaldehyde FL spicy alpha- amyl cinnamyl alcohol FL/FR para- anisyl methyl ketone FL/FR cinnamyl cinnamate FL/FR waxy allyl nonanoate FL/FR butyl undecylenate FL/FR ethyl nonanoate FL/FR ethyl octanoate FL/FR geranyl propionate FL/FR propyl heptanoate FL/FR whiskey 3- methyl-1-pentanol FL/FR winey cinnamyl butyrate FL/FR methyl nonanoate FL/FR woody beta- damascenone FL/FR delta- damascone FL/FR   Potential Uses: FR floral FR fruit FR spice FR wine   Occurrence (nature, food, other):note   chamomile garden chamomile plant Search Trop Picture   chamomile oil @ 0.37% Data GC Search Trop Picture   eriocephalus punctulatus Search Trop Picture   Synonyms: 2- butenoic acid, 2-methyl-, butyl ester, (2Z)- 2- butenoic acid, 2-methyl-, butyl ester, (Z)-   butyl (2Z)-2-methyl-2-butenoate   butyl (Z)-2-methyl crotonate   butyl (Z)-2-methyl isocrotonate   butyl (Z)-2-methyl-2-butenoate   butyl (Z)-2-methylbut-2-enoate   butyl (Z)-2-methylcrotonate   butyl (Z)-2-methylisocrotonate   butyl 2-methylbut-2(cis)-enoate N- butyl angelate   butyl cis-2-methyl isocrotonate (2Z)-2- methyl-2-butenoic acid butyl ester   Articles:   None found yet. 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Notes: None found