allyl 3,5,5-trimethyl hexanoate
2-propenyl 3,5,5-trimethylhexanoate

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  Taytonn ASCC Pte Ltd

  Supplying Asia Pacific
  We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service.
  Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers.
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  Product(s):
  Allyl 3,5,5-trimethylhexanoate

Name: prop-2-enyl 3,5,5-trimethylhexanoate CAS Number: 71500-37-3 3D/inchi ECHA EINECS - REACH Pre-Reg: 275-536-3 FDA UNII: Search Nikkaji Web: J59.813E Beilstein Number: 2079208 XlogP3-AA: 3.80 (est) Molecular Weight: 198.30574000 Formula: C12 H22 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   Physical Properties: Appearance: colorless clear liquid (est) Assay: 98.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.86900 to 0.87600 @ 20.00 °C. Pounds per Gallon - (est).: 7.239 to 7.298 Refractive Index: 1.42900 to 1.43300 @ 20.00 °C. Boiling Point: 208.00 to 210.00 °C. @ 760.00 mm Hg Acid Value: 1.00 max. KOH/g Vapor Pressure: 0.042000 mmHg @ 25.00 °C. (est) Flash Point: 181.00 °F. TCC ( 82.78 °C. ) logP (o/w): 4.246 (est) Soluble in:   alcohol   water, 6.77 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note 5,5-allyl trimethyl hexanoate   Organoleptic Properties: Odor Type: fruity fruity pineapple spicy Odor Description:at 10.00 % in dipropylene glycol. fruity pineapple spicy Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: Taytonn ASCC Allyl 3,5,5-trimethylhexanoate Odor: Fruity, Spicy   Safety Information: European information : Most important hazard(s): Xn - Harmful. R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/39 - Wear suitable clothing and eye/face protection.   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 1400 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 639, 1982. Dermal Toxicity: skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 639, 1982. 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 IFRA Purity Specification: < 0.1% free allyl alcohol Recommendation for allyl 3,5,5-trimethyl hexanoate usage levels up to:   2.0000 % in the fragrance concentrate.     Safety References: 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 :51330 National Institute of Allergy and Infectious Diseases:Data SCCNFP:opinion prop-2-enyl 3,5,5-trimethylhexanoate Chemidplus:0071500373   References:   prop-2-enyl 3,5,5-trimethylhexanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 71500-37-3 Pubchem (cid): 51330 Pubchem (sid): 135009253   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 animal methyl (E)-2-octenoate FL/FR balsamic ethyl cinnamate FL/FR tolu balsam oil FL/FR caramellic 5- ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one FL/FR maltyl propionate FL/FR cheesy heptanoic acid FL/FR 2- heptanone FL/FR chemical propyl propionate FL/FR ethereal propyl valerate FL/FR fatty allyl decanoate FL/FR allyl octanoate FL/FR methyl 2-hexenoate FL/FR floral benzyl formate FL/FR geranyl valerate FL/FR 2- hexylidene cyclopentanone FL/FR phenethyl hexanoate FL/FR 2- phenyl propyl isobutyrate FL/FR rhodinyl isobutyrate FL/FR rose carboxylate FR fruity allyl 10-undecenoate FL/FR allyl amyl glycolate FR allyl butyrate FL/FR allyl cinnamate FL/FR allyl cyclohexyl acetate FL/FR allyl cyclohexyl butyrate FL/FR allyl cyclohexyl propionate FL/FR allyl heptanoate FL/FR allyl hexanoate FL/FR allyl isovalerate FL/FR allyl phenoxyacetate FL/FR allyl salicylate FR allyl sorbate FL/FR amyl butyrate FL/FR iso amyl hexanoate FL/FR amyl hexanoate FL/FR iso amyl isobutyrate FL/FR iso amyl octanoate FL/FR amyl propionate FL/FR iso amyl propionate FL/FR para- anisyl methyl ketone FL/FR benzyl ethyl ether FL/FR benzyl isovalerate FL/FR iso butyl 2-butenoate FL/FR iso butyl butyrate FL/FR butyl butyrate FL/FR iso butyl furyl propionate FL/FR iso butyl hexanoate FL/FR butyl hexanoate FL/FR iso butyl isobutyrate FL/FR butyl isobutyrate FL/FR butyl isovalerate FL/FR butyl valerate FL/FR cherry pentenoate FL/FR cinnamyl isobutyrate FL/FR cyclohexyl butyrate FL/FR cyclohexyl hexanoate FL/FR ethyl (Z)-4-octenoate FL/FR ethyl 3-(2-furyl) propanoate FL/FR ethyl 3-hexenoate FL/FR ethyl 3-hydroxyhexanoate FL/FR ethyl 3-methyl valerate FL/FR ethyl 5-hydroxyoctanoate FL/FR ethyl butyrate FL/FR ethyl cyclohexane propionate FL/FR ethyl heptanoate FL/FR ethyl hexanoate FL/FR ethyl isovalerate FL/FR ethyl levulinate FL/FR ethyl propionate FL/FR ethyl valerate FL/FR ethyl-2-cyclopentenyl acetate FR geranyl isovalerate FL/FR 4- heptanone FL/FR linalyl hexanoate FL/FR methyl (Z)-4-octenoate FL/FR methyl 4-methyl valerate FL/FR methyl butyrate FL/FR methyl hexanoate FL/FR methyl isobutyrate FL/FR methyl isovalerate FL/FR methyl valerate FL/FR pineapple hydroxyhexanoate FL/FR pineapple pentenoate FL/FR iso propyl 2-methyl butyrate FL/FR propyl butyrate FL/FR iso propyl butyrate FL/FR propyl heptanoate FL/FR iso propyl hexanoate FL/FR propyl hexanoate FL/FR iso propyl isobutyrate FL/FR iso propyl isovalerate FL/FR iso propyl propionate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical ionone FL/FR 2- undecanone FL/FR vanilla carboxylate FL/FR green cognac heptanone FL/FR ethyl (E)-4-decenoate FL/FR galbanum oxyacetate FR galbascone (IFF) FR (E)-2- hexen-1-yl valerate FL/FR 3- hexenyl 2-methyl butyrate FL/FR manzanate (Givaudan) FL/FR octanal diethyl acetal FL/FR pineapple heptadienone 10% FR sorbyl isobutyrate FL/FR spirogalbanone (Givaudan) FR herbal benzyl octanoate FL/FR herbal undecanone FR lavender absolute bulgaria FL/FR nonisyl acetate FR nutty 2- methyl-3-ethoxypyrazine FL/FR spicy alpha- amyl cinnamyl alcohol FL/FR cinnamyl propionate FL/FR (E)- propyl 2-furan acrylate FL/FR sulfurous ethyl methyl mercaptopropionate FL/FR tropical pina colada fragrance FR tropical 3-thiobutyrate FL/FR 2- tropical oxathiane FL/FR waxy allyl nonanoate FL/FR ethyl octanoate FL/FR woody frankincense resinoid FL/FR frankincense resinoid replacer FR juniper needle oil FR For Flavor No flavor group found for these allyl 10-undecenoate FL/FR allyl cinnamate FL/FR allyl cyclohexyl butyrate FL/FR allyl cyclohexyl valerate FL allyl sorbate FL/FR iso amyl 3-methyl thiopropionate FL amyl propionate FL/FR benzyl ethyl ether FL/FR benzyl methyl tiglate FL benzyl octanoate FL/FR cyclohexyl butyrate FL/FR cyclohexyl hexanoate FL/FR 9- decen-2-one FL ethyl 3-methyl valerate FL/FR ethyl 5-hydroxyoctanoate FL/FR ethyl cyclohexane propionate FL/FR ethyl cyclohexyl carboxylate FL 5- ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one FL/FR geranyl valerate FL/FR 2- hexylidene cyclopentanone FL/FR linalyl hexanoate FL/FR methyl (Z)-4-octenoate FL/FR methyl 2-hexenoate FL/FR 2- methyl-3-ethoxypyrazine FL/FR 2- phenyl propyl isobutyrate FL/FR iso propyl hexanoate FL/FR iso propyl isobutyrate FL/FR iso propyl isovalerate FL/FR propyl valerate FL/FR sorbyl propionate FL iso butyl furyl propionate FL/FR hexyl 3-mercaptobutanoate FL sorbyl isobutyrate FL/FR balsamic balsamic ethyl cinnamate FL/FR tolu balsam oil FL/FR caramellic 5- ethyl-3,4,5,6-tetramethyl cyclohexen-2-one FL maltyl propionate FL/FR cheesy 2- heptanone FL/FR citrus cognac heptanone FL/FR cooling manzanate (Givaudan) FL/FR ethereal methyl isobutyrate FL/FR fatty allyl octanoate FL/FR ethyl (E)-4-decenoate FL/FR floral cinnamyl propionate FL/FR rhodinyl isobutyrate FL/FR tropical ionone FL/FR fruity allyl cyclohexyl acetate FL/FR allyl cyclohexyl propionate FL/FR allyl decanoate FL/FR allyl heptanoate FL/FR allyl hexanoate FL/FR allyl isovalerate FL/FR allyl phenoxyacetate FL/FR amyl butyrate FL/FR iso amyl hexanoate FL/FR amyl hexanoate FL/FR iso amyl isobutyrate FL/FR iso amyl octanoate FL/FR iso amyl propionate FL/FR benzyl formate FL/FR benzyl isovalerate FL/FR iso butyl butyrate FL/FR butyl butyrate FL/FR iso butyl hexanoate FL/FR butyl hexanoate FL/FR butyl isobutyrate FL/FR iso butyl isobutyrate FL/FR butyl isovalerate FL/FR butyl valerate FL/FR cherry pentenoate FL/FR cinnamyl isobutyrate FL/FR ethyl (E)-2-octenoate FL ethyl (Z)-4-octenoate FL/FR ethyl 3-(2-furyl) propanoate FL/FR ethyl 3-hexenoate FL/FR ethyl 3-hydroxyhexanoate FL/FR ethyl butyrate FL/FR ethyl heptanoate FL/FR ethyl hexanoate FL/FR ethyl isovalerate FL/FR ethyl levulinate FL/FR ethyl propionate FL/FR ethyl valerate FL/FR furfuryl valerate FL 4- heptanone FL/FR methionyl butyrate FL methyl (E)-2-octenoate FL/FR methyl 4-methyl valerate FL/FR methyl hexanoate FL/FR methyl isovalerate FL/FR ( methyl thio) methyl hexanoate FL methyl valerate FL/FR pineapple hydroxyhexanoate FL/FR pineapple pentenoate FL/FR (E)- propyl 2-furan acrylate FL/FR iso propyl 2-methyl butyrate FL/FR iso propyl butyrate FL/FR propyl butyrate FL/FR propyl hexanoate FL/FR iso propyl propionate FL/FR tetrahydrofurfuryl butyrate FL/FR vanilla carboxylate FL/FR fusel methyl butyrate FL/FR green allyl butyrate FL/FR iso butyl 2-butenoate FL/FR geranyl isovalerate FL/FR (E)-2- hexen-1-yl valerate FL/FR 3- hexenyl 2-methyl butyrate FL/FR octanal diethyl acetal FL/FR herbal lavender absolute bulgaria FL/FR spicy alpha- amyl cinnamyl alcohol FL/FR para- anisyl methyl ketone FL/FR sulfurous ethyl methyl mercaptopropionate FL/FR methyl 4-(methyl thio) butyrate FL tropical 3-thiobutyrate FL/FR tropical propyl propionate FL/FR 2- tropical oxathiane FL/FR waxy allyl nonanoate FL/FR ethyl octanoate FL/FR heptanoic acid FL/FR phenethyl hexanoate FL/FR propyl heptanoate FL/FR 2- undecanone FL/FR woody frankincense resinoid FL/FR   Potential Uses: FR fruit FL fruit tropical fruit FR pineapple   Occurrence (nature, food, other):note   not found in nature   Synonyms:   allyl 3,5,5-trimethylhexanoate   hexanoic acid, 3,5,5-trimethyl-, 2-propen-1-yl ester   hexanoic acid, 3,5,5-trimethyl-, 2-propenyl ester   prop-2-enyl 3,5,5-trimethylhexanoate 2- propen-1-yl 3,5,5-trimethyl hexanoate 2- propen-1-yl 3,5,5-trimethylhexanoate 2- propenyl 3,5,5-trimethyl hexanoate 2- propenyl 3,5,5-trimethylhexanoate 3,5,5- trimethyl hexanoic acid 2-propenyl ester 3,5,5- trimethylhexanoic acid 2-propenyl ester 3,5,5- trimethylhexanoic acid allyl ester   Articles:   None found yet. 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Notes: None found