hexyl pivalate
pivalic acid, hexyl ester

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Name: hexyl 2,2-dimethylpropanoate CAS Number: 5434-57-1 3D/inchi ECHA EINECS - REACH Pre-Reg: 226-602-5 FDA UNII: 5D5OEG991O Nikkaji Web: J126.055C Beilstein Number: 2205493 XlogP3: 3.80 (est) Molecular Weight: 186.29474000 Formula: C11 H22 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) Category: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   Physical Properties: Appearance: colorless clear liquid (est) Assay: 98.00 to 100.00 Food Chemicals Codex Listed: No Boiling Point: 202.00 to 203.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.281000 mmHg @ 25.00 °C. (est) Flash Point: 170.00 °F. TCC ( 76.67 °C. ) logP (o/w): 4.097 (est) Soluble in:   alcohol   water, 13.52 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: fatty Odor Strength:medium Substantivity:4 hour(s) at 100.00 % sweet floral fatty musty green fruity woody Odor Description:at 100.00 %. sweet floral fatty musty green fruity woody Luebke, William tgsc, (1985) Odor sample from: Alpine Aromatics Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers:   None found   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: oral-rat LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 723, 1982. Dermal Toxicity: skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 723, 1982. Inhalation Toxicity: Not determined   Safety in Use Information: Category: 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 hexyl pivalate usage levels up to:   5.0000 % in the fragrance concentrate.   Recommendation for hexyl pivalate flavor usage levels up to:   not for flavor use.   Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):5434-57-1 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :62575 National Institute of Allergy and Infectious Diseases:Data WGK Germany:2 hexyl 2,2-dimethylpropanoate Chemidplus:0005434571   References:   hexyl 2,2-dimethylpropanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 5434-57-1 Pubchem (cid): 62575 Pubchem (sid): 135021007   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 ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these octanal propylene glycol acetal FL/FR (E)- tiglaldehyde FL/FR aldehydic aldehydic aldehydic fragrance FR animal para- cresyl isobutyrate FL/FR methyl (E)-2-octenoate FL/FR balsamic iso amyl benzoate FL/FR iso bornyl propionate FL/FR fir carboxylate FR hexyl cinnamate FR scotch pine wood/needles resinoid FR valerian rhizome absolute FL/FR berry raspberry ketone methyl ether FL/FR citrus (R)- citronellyl nitrile FR citrus specialty FR 2- heptanol FL/FR methyl heptenone FL/FR alpha- methylene citronellal FR neroli ketone FR earthy methyl undecylenate FL/FR (S)-1- octen-3-ol FL/FR ethereal cyclohexyl formate FL/FR fatty decane nitrile FR 3- decen-2-one FL/FR methyl (E)-2-hexenoate FL/FR methyl 2-hexenoate FL/FR 4- methyl octanoic acid FL/FR undecanal propylene glycol acetal FL/FR fermented 3- methyl-1-pentanol FL/FR floral amyl benzoate FL/FR alpha- amyl cinnamaldehyde / methyl anthranilate schiff's base FR alpha- amyl cinnamaldehyde diethyl acetal FR anise indene FR benzaldehyde propylene glycol acetal FL/FR benzyl lactate FL/FR boronia absolute FL/FR bursera graveolens wood oil FL/FR cassis cyclohexene FR citronellyl propionate FL/FR cyclamen aldehyde FL/FR gamma- damascone FR 3- decanol FL/FR dihydrocarvyl acetate FL/FR (±)-2,3- dihydrofarnesol FL/FR 2,4- dimethyl cyclohexyl methyl acetate FR 6,8- dimethyl-2-nonanol FR gardenia concrete FR (E)- geranyl acetone FL/FR geranyl formate FL/FR geranyl isobutyrate FL/FR hexyl lactate FL/FR hexyl nonanoate FL/FR honeysuckle absolute FR ionone mixed isomers FL/FR jasmin cyclopentanol FR iso jasmone FL/FR (Z)- jasmone FL/FR lily of the valley absolute FR lily propanol FR linalyl propionate FL/FR (2- methoxy-1-methyl propyl) benzene FR para- methyl benzyl acetate FL/FR N- methyl ionone FR nonanol FL/FR orange leaf absolute FL/FR papaya isobutyrate FL/FR tilia cordata flower oil CO2 extract FR fruity acetaldehyde dihexyl acetal FL/FR allyl amyl glycolate FR allyl butyrate FL/FR 3- allyl oxy-1,4-dimethyl bicyclo(3.2.1)octane FR iso amyl butyrate FL/FR amyl hexanoate FL/FR apple ketal FL/FR berry pentadienoate FL/FR buchu wood specialty FL/FR butyl 2-methyl butyrate FL/FR 3- butyl bicyclo[3.2.1]-6-octen-2-one FR iso butyl octanoate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR cinnamyl hexanoate FL/FR 2- cyclopentyl cyclopentanone FL/FR 1,4- dibutyl-6,8-dioxabicyclo(3.2.1)octane FR diethyl malonate 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 dimethyl succinate FL/FR ethyl (E)-3-hexenoate FL/FR ethyl 2-cyclohexyl propionate FR ethyl 2-hexenoate FL/FR ethyl 2-octenoate FL/FR ethyl acetoacetate FL/FR ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate FL/FR endo- ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate FR ethyl levulinate FL/FR ethyl methyl-para-tolyl glycidate FL/FR (E,E)- ethyl sorbate FL/FR trans-1- ethyl-2-methyl propyl 2-butenoate FL/FR fig crotonate FR fruity butanate FR geranyl acetoacetate FL/FR geranyl ethyl ether FL/FR geranyl isovalerate FL/FR green acetate FR 2- heptyl butyrate FL/FR heptyl isobutyrate FL/FR heptyl isovalerate FL/FR heptyl valerate FR hexanal propylene glycol acetal FL/FR 2- hexen-1-ol FL/FR (Z)-3- hexen-1-yl 2-methyl-2-pentenoate FR (E)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl anthranilate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl (E)-tiglate FL/FR hexyl acetate FL/FR hexyl isovalerate FL/FR hexyl propionate FL/FR hexyl valerate FL/FR linalyl hexanoate FL/FR methyl (Z)-5-octenoate FL/FR methyl heptanoate FL/FR methyl octadienoate FL/FR methyl valerate FL/FR 3- methyl-2-butenal FL/FR nerolidyl isobutyrate FR 2- nonanone propylene glycol acetal FL/FR (Z)-6- nonenal dimethyl acetal FR octen-1-yl cyclopentanone FL/FR octyl butyrate FL/FR octyl propionate FL/FR 2- pentanone FL/FR 2- pentyl furan FL/FR perillyl acetate FL/FR 3- phenyl propyl hexanoate FL/FR 4- phenyl-2-butyl acetate FL/FR pineapple hydroxyhexanoate FL/FR pineapple pentenoate FL/FR prenyl hexanoate FL/FR rhubarb undecane FR (E,E)- sorbyl butyrate FL/FR sorbyl butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical specialty FR tropical thiazole FL/FR tropical trithiane FL/FR green acetaldehyde benzyl 2-methoxyethyl acetal FL/FR acetaldehyde methyl hexyl acetal FR actinidia chinensis fruit extract FL/FR actinidia chinensis fruit water FR allyl phenethyl ether FR bergoxane FR cognac heptanone FL/FR black currant bud absolute replacer FL/FR alpha- decalactone FL/FR alpha- elemol FL/FR ethyl (E)-2-hexenoate FL/FR ethyl (E)-4-decenoate FL/FR fresh nitrile FR galbanum oil FL/FR galbanum oleoresin FL/FR galbanum resinoid FL/FR galbanum specialty FR green dioxolane FR green note propionate FL/FR 1- heptanol FL/FR 3- heptanone FL/FR herbal cyclohexane FR (Z)-3- hexen-1-yl (E)-2-hexenoate FL/FR (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (E)-2- hexen-1-yl propionate FL/FR (E)-2- hexen-1-yl salicylate FR (Z)-3- hexen-1-yl valerate FL/FR (E)-2- hexen-1-yl valerate FL/FR (E)-2- hexenal propylene glycol acetal FL/FR 2- hexenyl acetate FL/FR 3- hexenyl acetate FL/FR (Z)-3- hexenyl methyl ether FR hexyl butyrate FL/FR hexyl isobutyrate FL/FR hexyl octanoate FL/FR manzanate (Givaudan) FL/FR methyl (E)-3-hexenoate FL/FR para- methyl hydratropaldehyde FL/FR neogall FR (E)-2- pentenal FL/FR alpha-iso propyl phenyl acetaldehyde FL/FR propylene acetal FL/FR sorbyl isobutyrate FL/FR (E,E)- sorbyl isobutyrate FL/FR terpinyl propionate FL/FR 1-[(3aS,7aR)-3a,4,7,7a- tetrahydro-1H-inden-6-yl]ethanone FR thiogeraniol FL/FR valerian rhizome oil CO2 extract china FL/FR violet dienyne FR herbal bornyl 2-methyl butyrate FL/FR bornyl butyrate FL/FR bornyl salicylate FR (+)-alpha- campholenic aldehyde FL/FR canarium luzonicum oil FL/FR herbal specialty FR herbal undecanone FR 6- hydroxydihydrotheaspirane (mixture of isomers) FL/FR 6- methoxy-2,6-dimethyl octanal FR methyl cyclogeranate (Firmenich) FR (1S,5R)- myrtenyl acetate FL/FR 2- pentyl acetate FL/FR tagete oil india FL/FR tricyclo(5.2.1.02,6)dec-3-enyl acetate FR tricyclodecenyl propionate FR tricyclodecyl acetate FR valerian rhizome oil FL/FR viridiflorol FL/FR melon (Z)-6- nonenal FL/FR minty carvyl acetate FL/FR mossy oakmoss absolute FL/FR orris iso eugenyl formate FL/FR spicy cinnamyl propionate FL/FR iso cyclogeraniol (IFF) FR N,N- diethyl octanamide FR 2,5- dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate FR green oxane FR 2- octanol FL/FR sulfurous 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR waxy 9- decenoic acid FL/FR heptyl octanoate FL/FR (E)- methyl geranate FL/FR octyl 2-methyl butyrate FL/FR orris rhizome oil CO2 extract FL/FR winey methyl 3-acetoxyoctanoate FL/FR woody melozol acetate FR mimosa concrete morocco FL/FR spicy pentanone FL/FR 1-(5',5',6'- trimethyl bicyclo(2.2.1)hept-2'-ylidene) propan-2-one FR verdoxan FR woody acetate FR For Flavor No flavor group found for these acetaldehyde benzyl 2-methoxyethyl acetal FL/FR allyl tiglate FL amyl benzoate FL/FR benzyl lactate FL/FR bornyl 2-methyl butyrate FL/FR bornyl butyrate FL/FR buchu wood specialty FL/FR bursera graveolens wood oil FL/FR iso butyl octanoate FL/FR cinnamyl hexanoate FL/FR 2- cyclopentyl cyclopentanone FL/FR alpha- decalactone FL/FR 3- decanol FL/FR alpha- elemol FL/FR ethyl 2-hexenoate FL/FR ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate FL/FR trans-1- ethyl-2-methyl propyl 2-butenoate FL/FR iso eugenyl formate FL/FR furfuryl hexanoate FL geranyl ethyl ether FL/FR (E,E)-2,4- heptadien-1-ol FL 2- heptyl butyrate FL/FR heptyl isovalerate FL/FR 2- hexenal diethyl acetal FL (E)-2- hexenal propylene glycol acetal FL/FR 2- hexenyl acetate FL/FR 3- hexenyl acetate FL/FR hexyl nonanoate FL/FR hexyl propionate FL/FR hexyl valerate FL/FR ionone mixed isomers FL/FR linalyl hexanoate FL/FR methyl (E)-2-hexenoate FL/FR methyl 2-hexenoate FL/FR methyl 3-acetoxyoctanoate FL/FR 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR methyl 4-pentenoate FL (E)- methyl geranate FL/FR methyl octadienoate FL/FR 2- nonanone propylene glycol acetal FL/FR octanal propylene glycol acetal FL/FR (S)-1- octen-3-ol FL/FR 4- phenyl-2-butyl acetate FL/FR prenyl hexanoate FL/FR alpha-iso propyl phenyl acetaldehyde FL/FR propylene acetal FL/FR (E,E)- sorbyl butyrate FL/FR (E,E)- sorbyl isobutyrate FL/FR (E)- tiglaldehyde FL/FR undecanal propylene glycol acetal FL/FR viridiflorol FL/FR sorbyl isobutyrate FL/FR alliaceous alliaceous tropical thiazole FL/FR aromatic para- cresyl isobutyrate FL/FR balsamic iso bornyl propionate FL/FR berry heptyl isobutyrate FL/FR raspberry ketone methyl ether FL/FR camphoreous 6- hydroxydihydrotheaspirane (mixture of isomers) FL/FR citrus cognac heptanone FL/FR cooling manzanate (Givaudan) FL/FR dairy methyl (Z)-5-octenoate FL/FR 2- pentyl acetate FL/FR earthy 1- hexen-3-yl acetate FL estery ethyl acetoacetate FL/FR octyl propionate FL/FR fatty ethyl (E)-4-decenoate FL/FR 4- methyl octanoic acid FL/FR floral cinnamyl propionate FL/FR citronellyl propionate FL/FR dihydrocarvyl acetate FL/FR (±)-2,3- dihydrofarnesol FL/FR (E)- geranyl acetone FL/FR geranyl isobutyrate FL/FR (Z)-3- hexen-1-yl anthranilate FL/FR orange leaf absolute FL/FR fruity iso amyl benzoate FL/FR amyl hexanoate FL/FR apple ketal FL/FR benzaldehyde propylene glycol acetal FL/FR berry pentadienoate FL/FR boronia absolute FL/FR butyl 2-methyl butyrate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR black currant bud absolute replacer FL/FR diethyl malonate FL/FR dimethyl succinate FL/FR ethyl (E)-2-hexenoate FL/FR ethyl (E)-3-hexenoate FL/FR ethyl 2-octenoate FL/FR ethyl levulinate FL/FR ethyl methyl-para-tolyl glycidate FL/FR (E,E)- ethyl sorbate FL/FR 2- heptanol FL/FR hexanal propylene glycol acetal FL/FR 2- hexen-1-ol FL/FR (Z)-3- hexen-1-yl (E)-2-hexenoate FL/FR (E)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl acetate FL/FR hexyl lactate FL/FR methyl (E)-2-octenoate FL/FR para- methyl benzyl acetate FL/FR methyl heptanoate FL/FR methyl valerate FL/FR 3- methyl-2-butenal FL/FR octen-1-yl cyclopentanone FL/FR 2- pentanone FL/FR 3- phenyl propyl hexanoate FL/FR pineapple hydroxyhexanoate FL/FR pineapple pentenoate FL/FR sorbyl butyrate FL/FR spicy pentanone FL/FR tetrahydrofurfuryl butyrate FL/FR tropical trithiane FL/FR valerian rhizome absolute FL/FR valerian rhizome oil FL/FR valerian rhizome oil CO2 extract china FL/FR green acetaldehyde dihexyl acetal FL/FR actinidia chinensis fruit extract FL/FR allyl butyrate FL/FR (+)-alpha- campholenic aldehyde FL/FR canarium luzonicum oil FL/FR cyclamen aldehyde FL/FR cyclohexyl formate FL/FR 3- decen-2-one FL/FR galbanum oil FL/FR galbanum oleoresin FL/FR galbanum resinoid FL/FR geranyl formate FL/FR geranyl isovalerate FL/FR green note propionate FL/FR (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (E)-2- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (E)-2- hexen-1-yl propionate FL/FR (E)-2- hexen-1-yl valerate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (E)-2- hexenal diethyl acetal FL hexyl (E)-tiglate FL/FR hexyl butyrate FL/FR hexyl isobutyrate FL/FR hexyl isovalerate FL/FR hexyl octanoate FL/FR iso jasmone FL/FR methyl (E)-3-hexenoate FL/FR methyl heptenone FL/FR para- methyl hydratropaldehyde FL/FR (Z)-6- nonenal FL/FR oakmoss absolute FL/FR papaya isobutyrate FL/FR (E)-2- pentenal FL/FR 2- pentyl furan FL/FR perillyl acetate FL/FR terpinyl propionate FL/FR thiogeraniol FL/FR herbal 5- hydroxymethyl furfural FL linalyl propionate FL/FR tagete oil india FL/FR ketonic 3- heptanone FL/FR minty carvyl acetate FL/FR musty geranyl acetoacetate FL/FR nutty peanut oxazole FL solvent 1- heptanol FL/FR sour 3- methyl valeric acid FL spicy 2- octanol FL/FR waxy iso amyl butyrate FL/FR 9- decenoic acid FL/FR heptyl octanoate FL/FR methyl undecylenate FL/FR nonanol FL/FR octyl 2-methyl butyrate FL/FR octyl butyrate FL/FR whiskey 3- methyl-1-pentanol FL/FR woody (Z)- jasmone FL/FR mimosa concrete morocco FL/FR (1S,5R)- myrtenyl acetate FL/FR orris rhizome oil CO2 extract FL/FR   Potential Uses: FR balsam   clean FR floral FR green FR herbal FR jasmin FR musk FR oriental   weedy FR woody   Occurrence (nature, food, other):note   not found in nature   Synonyms: 2,2- dimethyl propanoate 2,2- dimethyl propanoic acid N-hexyl ester   hexyl 2,2-dimethyl propanoate   hexyl 2,2-dimethyl propionate   hexyl 2,2-dimethylpropanoate   hexyl 2,2-dimethylpropionate   hexyl neopentanoate   hexyl pivalate 1- hexyl pivalate   pivalic acid hexyl ester   pivalic acid, hexyl ester   propanoic acid, 2,2-dimethyl-, hexyl ester   propanoic acid, 2,2-dimethyl-, n-hexyl ester   Articles:   None found yet. 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