2-hexyl acetate
1-methylpentyl acetate

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CAS Number: 5953-49-1 3D/inchi ECHA EINECS - REACH Pre-Reg: 227-716-8 FDA UNII: Search Nikkaji Web: J126.497D CoE Number: 10840 XlogP3-AA: 2.30 (est) Molecular Weight: 144.21392000 Formula: C8 H16 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavoring 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: 95.00 to 100.00 Food Chemicals Codex Listed: No Boiling Point: 154.00 to 156.00 °C. @ 760.00 mm Hg Vapor Pressure: 2.906000 mmHg @ 25.00 °C. (est) Flash Point: 116.00 °F. TCC ( 46.67 °C. ) logP (o/w): 2.667 (est) Soluble in:   alcohol   water, 356.7 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: fruity apple fruity pear sour Odor Description:at 10.00 % in dipropylene glycol. apple fruity pear sour Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: 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: flavoring agents Recommendation for 2-hexyl acetate usage levels up to:   not for fragrance use.     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 :110740 National Institute of Allergy and Infectious Diseases:Data hexan-2-yl acetate Chemidplus:0005953491   References: Leffingwell: Chirality or Article   hexan-2-yl acetate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 5953-49-1 Pubchem (cid): 110740 Pubchem (sid): 135067146   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 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor animal methyl (E)-2-octenoate FL/FR fermented hexanal diethyl acetal FL/FR floral (Z)-alpha- damascone FL/FR alpha- damascone FL/FR methyl citronellate FL/FR fruity acetaldehyde hexyl isoamyl acetal FL/FR amyl 2-methyl butyrate FL/FR amyl isobutyrate FL/FR amyl isovalerate FL/FR apple ketal FL/FR benzyl isovalerate FL/FR butyl isovalerate FL/FR cyclohexyl butyrate FL/FR (E)-alpha- damascone FL/FR ethyl isovalerate FL/FR ethyl valerate FL/FR fruity ketal FL/FR geranyl 2-methyl butyrate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl isovalerate FL/FR methyl (Z)-4-decenoate FL/FR 2- methyl butyl butyrate FL/FR methyl isovalerate FL/FR methyl nonanoate FL/FR nonyl isovalerate FL/FR (Z)-3- octen-1-yl propionate FL/FR propyl 2-methyl butyrate FL/FR iso propyl 2-methyl butyrate FL/FR propyl heptanoate FL/FR iso propyl isovalerate FL/FR propyl isovalerate FL/FR green butyl heptanoate FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR ethyl (E)-2-decenoate FL/FR green note propionate FL/FR (Z)-3- hexen-1-yl (E)-2-hexenoate FL/FR (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (E)-2- hexen-1-yl butyrate 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 (Z)-3- hexenal FL/FR (E)-2- hexenal propylene glycol acetal FL/FR hexyl 2-methyl butyrate FL/FR hexyl butyrate FL/FR hexyl isobutyrate FL/FR methyl (E)-3-hexenoate FL/FR (E,Z)-3,6- nonadien-1-yl acetate FL/FR 3,6- nonadien-1-yl acetate FL/FR 3- octyl formate FL/FR (E)-2- pentenal FL/FR propyl tiglate FL/FR waxy ethyl decanoate FL/FR (E)-2- tridecen-1-yl acetate FL/FR For Flavor No flavor group found for these acetaldehyde hexyl isoamyl acetal FL/FR amyl 2-methyl butyrate FL/FR amyl isobutyrate FL/FR amyl isovalerate FL/FR cyclohexyl butyrate FL/FR (Z)-alpha- damascone FL/FR 9- decen-2-one FL geranyl 2-methyl butyrate FL/FR hexanal diethyl acetal FL/FR (E)-3- hexenal FL (E)-2- hexenal propylene glycol acetal FL/FR methyl (Z)-4-decenoate FL/FR nonyl isovalerate FL/FR propyl 2-methyl butyrate FL/FR propyl isovalerate FL/FR iso propyl isovalerate FL/FR propyl tiglate FL/FR (E)-2- tridecen-1-yl acetate FL/FR floral floral methyl citronellate FL/FR fruity apple ketal FL/FR benzyl isovalerate FL/FR butyl heptanoate FL/FR butyl isovalerate FL/FR (E)-alpha- damascone FL/FR alpha- damascone FL/FR ethyl (E)-2-decenoate FL/FR ethyl isovalerate FL/FR ethyl valerate FL/FR fruity ketal FL/FR (Z)-3- hexen-1-yl (E)-2-hexenoate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR methyl (E)-2-octenoate FL/FR 2- methyl butyl butyrate FL/FR methyl isovalerate FL/FR (Z)-3- octen-1-yl propionate FL/FR iso propyl 2-methyl butyrate FL/FR green ethyl (E,Z)-2,4-decadienoate FL/FR green note propionate FL/FR (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl propionate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (E)-2- hexen-1-yl valerate FL/FR (Z)-3- hexenal FL/FR hexyl 2-methyl butyrate FL/FR hexyl butyrate FL/FR hexyl isobutyrate FL/FR hexyl isovalerate FL/FR methyl (E)-3-hexenoate FL/FR 3,6- nonadien-1-yl acetate FL/FR (E,Z)-3,6- nonadien-1-yl acetate FL/FR (E)-2- pentenal FL/FR waxy ethyl decanoate FL/FR 3- octyl formate FL/FR propyl heptanoate FL/FR winey methyl nonanoate FL/FR   Potential Uses: None Found   Occurrence (nature, food, other):note   found in nature   Synonyms:   hexan-2-yl acetate 2- hexanol acetate 2- hexanol, acetate sec- hexyl acetate 1- methyl pentyl acetate   methylamyl acetate 1- methylpentyl acetate   Articles:   None found yet. Try the PubMed Search.

Notes: None found