heptyl isovalerate
3-methylbutanoic acid heptyl ester

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  CODE143831 CODE143831
  Product(s):
  56423-43-9 Heptyl isovalerate

Name: heptyl 3-methylbutanoate CAS Number: 56423-43-9 3D/inchi ECHA EINECS - REACH Pre-Reg: 260-170-9 FDA UNII: 479G1Y20YZ Nikkaji Web: J183.049J MDL: MFCD03939565 CoE Number: 10667 XlogP3: 4.20 (est) Molecular Weight: 200.32168000 Formula: C12 H24 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: 09.392 heptyl isovalerate   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: 1.42200 to 1.42800 @ 20.00 °C. Boiling Point: 230.00 to 232.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.061000 mmHg @ 25.00 °C. (est) Flash Point: 201.00 °F. TCC ( 93.89 °C. ) logP (o/w): 4.705 (est) Soluble in:   alcohol   water, 4.064 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl valerate allyl isovalerate amyl valerate amyl isovalerate isoamyl valerate isoamyl isovalerate para-anisyl isovalerate para-anisyl valerate benzyl valerate benzyl isovalerate bornyl valerate bornyl isovalerate (-)-bornyl isovalerate isobornyl isovalerate S-sec-butyl thioisovalerate butyl valerate butyl isovalerate isobutyl valerate isobutyl isovalerate carvyl isovalerate cinnamyl valerate cinnamyl isovalerate citronellyl valerate citronellyl isovalerate para-cresyl valerate para-cresyl isovalerate cyclohexyl valerate cyclohexyl isovalerate cyclotene isovalerate decyl valerate decyl isovalerate ethyl valerate ethyl isovalerate eugenyl isovalerate furfuryl isovalerate furfuryl valerate geranyl valerate geranyl isovalerate (E)-2-hepten-1-yl isovalerate sec-heptyl isovalerate heptyl valerate (E)-2-hexen-1-yl valerate (E)-2-hexen-1-yl isovalerate (Z)-3-hexen-1-yl valerate (Z)-3-hexen-1-yl isovalerate hexyl valerate hexyl isovalerate linalyl valerate linalyl isovalerate menthyl valerate menthyl isovalerate methyl 2-methyl valerate methyl 4-methyl valerate 2-methyl butyl isovalerate 4-methyl pentyl isovalerate methyl thio isovalerate methyl valerate methyl isovalerate myrtenyl isovalerate neryl isovalerate nonyl isovalerate nonyl valerate octyl valerate octyl isovalerate phenethyl isovalerate 2-phenethyl valerate 3-phenyl propyl isovalerate phenyl propyl valerate S-prenyl thioisovalerate isopropyl thioisovalerate propyl valerate propyl isovalerate isopropyl valerate isopropyl isovalerate rhodinyl isovalerate terpinyl isovalerate terpinyl valerate   Organoleptic Properties: Odor Type: fruity fruity woody animal Odor Description:at 100.00 %. fruity woody animal Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. Heptyl isovalerate Inoue Perfumery HEPTYL ISOVALERATE Sigma-Aldrich: Aldrich For experimental / research use only. Heptyl Isovalerate   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): 0.0012 (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 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (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 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 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 :91850 National Institute of Allergy and Infectious Diseases:Data heptyl 3-methylbutanoate Chemidplus:0056423439   References:   heptyl 3-methylbutanoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 91850 Pubchem (sid): 135048535   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 For Odor amber ambergris fragrance FR ambreine fragrance FR balsamic ambrene specialty FR iso bornyl propionate FL/FR fir carboxylate FR scotch pine wood/needles resinoid FR tolu balsam replacer FR berry raspberry ketone methyl ether FL/FR earthy orris specialty FR fatty hexyl pivalate FR floral anise indene FR benzaldehyde propylene glycol acetal FL/FR boronia absolute FL/FR boronia absolute replacer FL/FR boronia fragrance FR bursera graveolens wood oil FL/FR cananga oil FL/FR 2,4- dimethyl cyclohexyl methyl acetate FR ionone mixed isomers FL/FR linalyl propionate FL/FR N- methyl ionone FR orris fragrance FR fruity brandy extract FL/FR buchu wood specialty FL/FR davana flower oil FL/FR 1-(3,3- dimethyl bicyclo(2.2.1)hept-2-yl)-2-methyl cyclohex-3-ene carbaldehyde FR 1,4- dimethyl bicyclo(3.2.1)oct-3-yl acetate FR 1,2- dimethyl butyl 2-butenoate FR trans-1- ethyl-2-methyl propyl 2-butenoate FL/FR geranyl acetoacetate FL/FR green acetate FR methyl (Z)-5-octenoate FL/FR octyl propionate FL/FR 2- pentanone FL/FR perillyl acetate FL/FR pineapple hydroxyhexanoate FL/FR herbal bornyl 2-methyl butyrate FL/FR bornyl butyrate FL/FR herbal specialty FR herbal undecanone FR methyl cyclogeranate (Firmenich) FR tricyclodecenyl propionate FR spicy clove bud absolute FL/FR clove bud oil FL/FR clove bud oil replacer FR clove fragrance FR N,N- diethyl octanamide FR green oxane FR pepper tree berry oil CO2 extract FL/FR waxy orris rhizome oil CO2 extract FL/FR woody 4-(3,3- dimethyl bicyclo(2.2.1)hept-2-yl)-1-methyl-2-oxabicyclo(2.2.2)octane FR melozol acetate FR spicy pentanone FL/FR 1-(5',5',6'- trimethyl bicyclo(2.2.1)hept-2'-ylidene) propan-2-one FR trimethyl cyclohexyl acetyl cyclopentanone FR For Flavor No flavor group found for these bornyl 2-methyl butyrate FL/FR bornyl butyrate FL/FR boronia absolute replacer FL/FR buchu wood specialty FL/FR bursera graveolens wood oil FL/FR costus root absolute FL davana flower oil FL/FR trans-1- ethyl-2-methyl propyl 2-butenoate FL/FR ionone mixed isomers FL/FR balsamic balsamic iso bornyl propionate FL/FR berry raspberry ketone methyl ether FL/FR dairy methyl (Z)-5-octenoate FL/FR estery octyl propionate FL/FR floral cananga oil FL/FR fruity benzaldehyde propylene glycol acetal FL/FR boronia absolute FL/FR brandy extract FL/FR 2- pentanone FL/FR pineapple hydroxyhexanoate FL/FR spicy pentanone FL/FR green perillyl acetate FL/FR herbal linalyl propionate FL/FR musty geranyl acetoacetate FL/FR spicy clove bud absolute FL/FR clove bud oil FL/FR pepper tree berry oil CO2 extract FL/FR woody orris rhizome oil CO2 extract FL/FR   Potential Uses: None Found   Occurrence (nature, food, other):note   osmanthus absolute @ trace% Data GC Search Trop Picture   Synonyms:   butanoic acid, 3-methyl-, heptyl ester   heptyl 3-methyl butyrate   heptyl 3-methylbutanoate   heptyl 3-methylbutyrate   heptyl isopentanoate 3- methyl butanoic acid heptyl ester 3- methylbutanoic acid heptyl ester   Articles:   None found yet. Try the PubMed Search.

Notes: None found