linalyl isovalerate
isovaleric acid linalyl ester

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  1118-27-0 Linalyl Isovalerate

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  LINALYLE ISOVALERATE

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  Penta International Corporation

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  12-62000 LINALYL ISOVALERATE

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  Product(s):
  W264601 Linalyl isovalerate, ≥95%, FG
  SDS

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  Product(s):
  W127 Linalyl Isovalerate

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  Product(s):
  Linalyl Isovalerate

Name: 3,7-dimethylocta-1,6-dien-3-yl 3-methylbutanoate CAS Number: 1118-27-0 3D/inchi Other(deleted CASRN): 50649-12-2 ECHA EINECS - REACH Pre-Reg: 214-259-4 FDA UNII: 1X8S4K3UQ9 Nikkaji Web: J34.608J MDL: MFCD00048304 CoE Number: 449 XlogP3-AA: 4.80 (est) Molecular Weight: 238.37062000 Formula: C15 H26 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 JECFA Food Flavoring: 363 linalyl isovalerate DG SANTE Food Flavourings: 09.454 linalyl isovalerate FEMA Number: 2646 linalyl isovalerate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 1118-27-0 ; LINALYL ISOVALERATE FDA Regulation: FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.   Physical Properties: Appearance: colorless clear oily liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.88500 @ 25.00 °C. Boiling Point: 188.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.004000 mmHg @ 25.00 °C. (est) Flash Point: 229.00 °F. TCC ( 109.44 °C. ) logP (o/w): 5.222 (est) Soluble in:   alcohol   water, 0.3135 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 heptyl 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 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: herbal citrus bergamot lavender peach apricot sage Odor Description:at 100.00 %. citrus bergamot lavender peach apricot sage Flavor Type: fruity fruity apple plum peach Taste Description: sweet fruity apple plum peach Odor and/or flavor descriptions from others (if found). Kingchem Laboratories LINALYL ISOVALERATE Odor Description:Stable, suave, fruity   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: BOC Sciences For experimental / research use only. Linalyl Isovalerate Bontoux LINALYLE ISOVALERATE Inoue Perfumery LINALYL ISOVALERATE Kingchem Laboratories LINALYL ISOVALERATE Odor: Stable, suave, fruity Nagar Haveli Perfumes & Aromatics Linalyl Isovalerate Odor: Citrus bergamot lavender peach apricot sage Penta International LINALYL ISOVALERATE Reincke & Fichtner Linalyl Isovalerate Sigma-Aldrich Linalyl isovalerate, ≥95%, FG sds Odor: apple; fruity; sage; sweet Certified Food Grade Products Synerzine Linalyl Isovalerate WholeChem Linalyl Isovalerate   Safety Information: Preferred SDS: View European information : Most important hazard(s): Xi - Irritant R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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 - Wear suitable protective clothing.   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: oral-rat LD50 > 5000 mg/kg (Moreno, 1975l) oral-mouse LD50 [sex: M,F] 25165 (Hoffman-LaRoche, Inc., 1967b) 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 linalyl isovalerate usage levels up to:   4.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 4.60 (μg/capita/day) Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library publication number: 3 Click here to view publication 3   average usual ppm average maximum ppm baked goods: - 5.60000 beverages(nonalcoholic): - 0.96000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - 0.91000 fruit ices: - 0.91000 gelatins / puddings: - 0.10000 granulated sugar: - - gravies: - - hard candy: - 5.70000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - - soups: - - sugar substitutes: - - sweet sauces: - -   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 EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):1118-27-0 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :14234 National Institute of Allergy and Infectious Diseases:Data WGK Germany:2 3,7-dimethylocta-1,6-dien-3-yl 3-methylbutanoate Chemidplus:0001118270 RTECS:RG5927200 for cas# 1118-27-0   References:   3,7-dimethylocta-1,6-dien-3-yl 3-methylbutanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 1118-27-0 Pubchem (cid): 14234 Pubchem (sid): 134979620 Flavornet: 1118-27-0 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 FDA Substances Added to Food (formerly EAFUS): View CHEMBL: View HMDB (The Human Metabolome Database): HMDB30428 FooDB: FDB002292 Export Tariff Code: 2915.60.0000 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor aldehydic iso valeraldehyde FL/FR amber acetoxymethyl isolongifolene FR formoxymethyl isolongifolene FR hydroxymethyl isolongifolene 50% in dpg FR balsamic balsam ketone FR iso bornyl propionate FL/FR 3- phenyl propyl cinnamate FL/FR sclareol FL/FR citrus bergamot acetoacetate FR bergamot fragrance FR bergamot oil replacer FR citronellal oxime FR dihydromyrcenyl acetate FR alpha- methylene citronellal FR myrcenyl acetate FL/FR petitgrain bergamot oil FL/FR alpha- terpinyl methyl ether FL/FR tetrahydromyrcenyl acetate FR coconut delta- decalactone FL/FR delta- undecalactone FL/FR creamy creamy lactone FL/FR ethereal iso propyl acetate FL/FR fatty 2,4- decadien-1-ol FL/FR fermented iso butyl decanoate FL/FR floral butyl nonanoate FL/FR (S)- citronellyl acetate FL/FR citronellyl formate FL/FR ethyl linalool FR floral undecenone FR geranyl acetate FL/FR geranyl formate FL/FR geranyl isobutyrate FL/FR heptyl propionate FL/FR jasmin lactone (IFF) FL/FR jasmin pyranone FL/FR grosso lavandin oil FL/FR lavandula angustifolia flower oil FL/FR lavender oil FL/FR lavender oil bulgaria FL/FR lavender oil CO2 extract FL/FR laevo- linalool FL/FR linalyl benzoate FL/FR linalyl butyrate FL/FR linalyl propionate FL/FR myrcenol FL/FR neryl isovalerate FL/FR nonisyl propionate FR petitgrain oil paraguay FL/FR phenethyl heptanoate FL/FR phenethyl isobutyrate FL/FR phenethyl isovalerate FL/FR 1- phenyl propyl butyrate FL/FR terpinyl formate FL/FR terpinyl isobutyrate FL/FR tetrahydrolinalyl acetate FR fruity allyl (E)-cinnamate FL/FR allyl 2-ethyl butyrate FL/FR allyl cinnamate FL/FR allyl cyclohexyl acetate FL/FR allyl isovalerate FL/FR allyl propionate FL/FR iso amyl 2-methyl butyrate FL/FR iso amyl butyrate FL/FR amyl hexanoate FL/FR iso amyl isobutyrate FL/FR amyl isobutyrate FL/FR iso amyl isovalerate FL/FR iso amyl nonanoate FL/FR amyl propionate FL/FR para- anisyl propionate FL/FR apricot isobutyrate FR apricot peach fragrance FR benzyl butyrate FL/FR benzyl heptanoate FL/FR benzyl propionate FL/FR 2- butanol FL/FR butyl 2-decenoate FL/FR iso butyl hexanoate FL/FR butyl isobutyrate FL/FR butyl isovalerate FL/FR iso butyl valerate FL/FR cyclohexyl cinnamate FL/FR cyclohexyl isovalerate FL/FR gamma- decalactone FL/FR decen-1-yl cyclopentanone FL/FR diethyl malonate FL/FR dihydroactinidolide FL/FR alpha,alpha- dimethyl benzyl isobutyrate FL/FR epsilon- dodecalactone FL/FR gamma- dodecalactone FL/FR ethyl cyclohexane propionate FL/FR fleuramone (IFF) FR fruity butanate FR fruity cyclopentanone FR heptyl isobutyrate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl isovalerate FL/FR linalyl isobutyrate FL/FR linalyl valerate FL/FR methyl 2-methyl butyrate FL/FR nerolidyl isobutyrate FR ocimen-1-yl acetate FR octen-1-yl cyclopentanone FL/FR peach cyclopentanone FR peach nitrile FR peach pivalate FR 2- pentyl butyrate FL/FR phenoxyethyl propionate FL/FR 2- phenyl propyl butyrate FL/FR plum crotonate FR prenol FL/FR propyl butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR gamma- undecalactone (aldehyde C-14 (so-called)) FL/FR green iso amyl formate FL/FR benzyl hexanoate FL/FR heptyl acetate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl formate FL/FR (Z)-3- hexen-1-yl pyruvate FL/FR (E)-2- hexen-1-yl valerate FL/FR hexyl 2-methyl butyrate FL/FR hexyl isobutyrate FL/FR ivy carbaldehyde FL/FR 3,5- ivy carbaldehyde FL/FR 2,4- ivy carbaldehyde FL/FR 3,6- ivy carbaldehyde FL/FR laevo- linalyl acetate FL/FR dextro- linalyl acetate FL/FR magnolia flower oil FL/FR herbal 6- acetoxydihydrotheaspirane FL/FR acorus calamus rhizome oil FR amber dioxepine FR benzyl octanoate FL/FR bergamot mint herb oil FR camphene carbinyl acetate FR clary acetate FR clary propyl acetate FR clary sage resin america FR costmary oil (chrysanthemum balsamita) FR cuminyl acetate FL/FR iso dihydrolavandulal FL/FR freesia heptanol FL/FR herbal carene FR herbal undecanol FR jambu oleoresin FL/FR abrialis lavandin oil FL/FR lavandin water absolute FL/FR lavender absolute bulgaria FL/FR lavender oil terpeneless FL/FR lavender stem oil lithuania FR linalyl acetate FL/FR linalyl formate FL/FR methyl hexyl ether FL/FR nopyl acetate FR ocimene oxirane FR 3- octanone FL/FR 1- octen-3-yl acetate FL/FR 3- octyl acetate FL/FR saffron pyranone FR terpineol acetate FL/FR alpha- terpinyl acetate FL/FR honey propyl phenyl acetate FL/FR spicy zanthoxylum piperitum fruit absolute CO2 extract FL/FR sulfurous buchu mercaptan FL/FR grapefruit menthane FL/FR tropical delta- dodecalactone FL/FR glyceryl 5-hydroxydecanoate FL/FR glyceryl 5-hydroxydodecanoate FL/FR waxy iso amyl laurate FL/FR ethyl octanoate FL/FR woody alpha- farnesene FL/FR alpha- farnesene isomer FL/FR For Flavor No flavor group found for these 6- acetoxydihydrotheaspirane FL/FR allyl (E)-cinnamate FL/FR allyl cinnamate FL/FR allyl cyclohexyl valerate FL amyl isobutyrate FL/FR amyl propionate FL/FR para- anisyl propionate FL/FR benzyl heptanoate FL/FR benzyl hexanoate FL/FR benzyl octanoate FL/FR 2- butanol FL/FR iso butyl decanoate FL/FR butyl nonanoate FL/FR cuminyl acetate FL/FR epsilon- dodecalactone FL/FR ethyl cyclohexane propionate FL/FR ivy carbaldehyde FL/FR 3,5- ivy carbaldehyde FL/FR jasmin lactone (IFF) FL/FR laevo- linalyl acetate FL/FR dextro- linalyl acetate FL/FR linalyl valerate FL/FR magnolia flower oil FL/FR myrcenol FL/FR phenethyl heptanoate FL/FR 1- phenyl propyl butyrate FL/FR terpineol acetate FL/FR terpinyl isobutyrate FL/FR alliaceous alliaceous allyl propionate FL/FR apple red apple concentrate FL green apple concentrate FL balsamic iso bornyl propionate FL/FR berry heptyl isobutyrate FL/FR candy candied apple flavor FL caramellic caramel apple flavor FL citrus freesia heptanol FL/FR laevo- linalool FL/FR myrcenyl acetate FL/FR petitgrain bergamot oil FL/FR coconut delta- decalactone FL/FR cooling jambu oleoresin FL/FR creamy creamy lactone FL/FR delta- dodecalactone FL/FR glyceryl 5-hydroxydecanoate FL/FR glyceryl 5-hydroxydodecanoate FL/FR jasmin pyranone FL/FR massoia lactone FL delta- undecalactone FL/FR gamma- undecalactone (aldehyde C-14 (so-called)) FL/FR ethereal allyl 2-ethyl butyrate FL/FR methyl hexyl ether FL/FR iso propyl acetate FL/FR fatty iso amyl laurate FL/FR 2,4- decadien-1-ol FL/FR floral (S)- citronellyl acetate FL/FR geranyl isobutyrate FL/FR linalyl acetate FL/FR linalyl butyrate FL/FR linalyl isobutyrate FL/FR fruity allyl cyclohexyl acetate FL/FR allyl isovalerate FL/FR iso amyl 2-methyl butyrate FL/FR amyl hexanoate FL/FR iso amyl isobutyrate FL/FR apple apricot flavor FL apple banana flavor FL apple blueberry flavor FL apple cherry flavor FL apple cider flavor FL apple cobbler flavor FL apple concentrate FL apple distillates FL delicious apple flavor FL red apple flavor FL pippin apple flavor FL red delicious apple flavor FL gala apple flavor FL green apple flavor FL golden delicious apple flavor FL mcintosh apple flavor FL granny smith apple flavor FL fuji apple flavor FL baked apple flavor FL benzyl butyrate FL/FR benzyl propionate FL/FR butyl 2-decenoate FL/FR iso butyl hexanoate FL/FR butyl isobutyrate FL/FR butyl isovalerate FL/FR iso butyl valerate FL/FR citronellyl formate FL/FR cyclohexyl cinnamate FL/FR cyclohexyl isovalerate FL/FR gamma- decalactone FL/FR decen-1-yl cyclopentanone FL/FR (E)-2- decenoic acid FL diethyl malonate FL/FR dihydroactinidolide FL/FR alpha,alpha- dimethyl benzyl isobutyrate FL/FR gamma- dodecalactone FL/FR 2- furyl pentyl ketone FL heptyl propionate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR linalyl benzoate FL/FR methyl 2-methyl butyrate FL/FR 2- methyl allyl butyrate FL neryl isovalerate FL/FR octen-1-yl cyclopentanone FL/FR peach plum raspberry flavor FL 2- pentyl butyrate FL/FR phenethyl isovalerate FL/FR prenol FL/FR propyl butyrate FL/FR terpinyl formate FL/FR tetrahydrofurfuryl butyrate FL/FR iso valeraldehyde FL/FR green iso amyl formate FL/FR iso amyl isovalerate FL/FR alpha- farnesene FL/FR alpha- farnesene isomer FL/FR geranyl acetate FL/FR geranyl formate FL/FR heptyl acetate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl formate FL/FR (Z)-3- hexen-1-yl pyruvate FL/FR (E)-2- hexen-1-yl valerate FL/FR hexyl 2-methyl butyrate FL/FR hexyl isobutyrate FL/FR hexyl isovalerate FL/FR 2,4- ivy carbaldehyde FL/FR 3,6- ivy carbaldehyde FL/FR 1- octen-3-yl acetate FL/FR 3- octyl acetate FL/FR herbal iso dihydrolavandulal FL/FR grosso lavandin oil FL/FR abrialis lavandin oil FL/FR lavandin water absolute FL/FR lavandula angustifolia flower oil FL/FR lavender absolute bulgaria FL/FR lavender oil FL/FR lavender oil bulgaria FL/FR lavender oil CO2 extract FL/FR lavender oil terpeneless FL/FR linalyl formate FL/FR linalyl propionate FL/FR petitgrain oil paraguay FL/FR honey phenethyl isobutyrate FL/FR propyl phenyl acetate FL/FR mushroom 3- octanone FL/FR spicy 2- phenyl propyl butyrate FL/FR 3- phenyl propyl cinnamate FL/FR zanthoxylum piperitum fruit absolute CO2 extract FL/FR sulfurous buchu mercaptan FL/FR grapefruit menthane FL/FR sweet apple brown sugar flavor FL waxy iso amyl butyrate FL/FR ethyl octanoate FL/FR furfuryl octanoate FL phenoxyethyl propionate FL/FR winey iso amyl nonanoate FL/FR woody sclareol FL/FR alpha- terpinyl acetate FL/FR alpha- terpinyl methyl ether FL/FR   Potential Uses: FR apple FR apricot FR bergamot FR cranberry   exotic FR gardenia FR gooseberry FR honeysuckle FR lavender FR magnolia FR peach FR pineapple FL pistachio FR plum FR sage FR sassafras FR wisteria   Occurrence (nature, food, other):note   sage Search Trop Picture   salvia spinosa Search Trop Picture   Synonyms: 1,5- dimethyl-1-vinyl hex-4-enyl 3-methyl butanoate 1,5- dimethyl-1-vinyl hex-4-enyl isovalerate 3,7- dimethyl-1,6-octadien-3-yl 3-methyl butanoate 3,7- dimethyl-1,6-octadien-3-yl isovalerate 3,7- dimethylocta-1,6-dien-3-yl 3-methylbutanoate   linalyl 3-methyl butanoate   linalyl isopentanoate   linalyl isovalerianate   linalyle isovalerate 3- methyl butanoic acid 1-ethenyl-1,5-dimethyl-4-hexenyl ester 1,6- octadien-3-ol, 4,7-dimethyl-, isovalerate iso valeric acid (4,7-dimethyl-1,6-octadien-3-yl) ester iso valeric acid 1,5-dimethyl-1-vinyl-4-hexenyl ester iso valeric acid linalyl ester iso valeric acid, (4,7-dimethyl-1,6-octadien-3-yl) ester   Articles:   None found yet. 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Notes: Used in perfumery and food flavouring. Present in Salvia spp. e.g. sage (Salvia officinalis)