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Methyl 3-hexenoate 2396-78-3
Category : Organic chemicals and Derivatives/Aroma compounds
CAS NO : 2396-78-3 EC NO : 219-256-1 MF : C7H12O2 MW : 128.169 Specification : 99% min Packing : 25kg，50kg 200kg Product description : What is the chemical of Methyl 3-hexenoate? Appearance: Colorless to pale yellow liquid ; Assay：99%min by GC ; IR Identity: conform to standard ; HNMR： conform to standard ; carbon spectrum: conform to standard ; Water by K. F.:0.5% max or as per the customer’s request ; Loss on drying:0.5% max. or as per the customer’s request ; boiling =========================================================================== The main uses of methyl 3-hexenoate include: Flavor for food: It is listed as GRAS (generally considered safe) by FEMA (Flavor and Extract Manufacturers Association) of the United States, and is widely used to prepare food essence. According to FEMA standard, the maximum allowable use amount is 2.0 mg/kg in soft drinks, cold drinks, gel products, pudding and coated food; The maximum allowable dosage for candy and baked goods is 4.0 mg/kg. Daily chemical raw materials: used in essence formula of personal care products such as perfume and cosmetics. Pharmaceutical and chemical intermediates: As intermediates for synthesizing other organic compounds, used in the fields of pharmaceuticals and fine chemicals point: 169°C; ============================================================================= The synthesis path usually involves the following two common methods: Esterification reaction: Using 3-hexenoic acid as raw material, esterification reaction is carried out with methanol under acidic catalyst (such as concentrated sulfuric acid) conditions to directly generate methyl 3-hexenoic acid. This is the most classic and direct method for synthesizing fatty acid methyl esters. Synthesis starting from aldehydes: The structure of methyl 3-hexenoate is related to trans-2-hexenal (E) -2-Hexenal) or trans-3-hexenal (E) -3-Hexenal). One possible route is to first synthesize the corresponding trans-3-hexenal, then oxidize it to 3-hexenoic acid through oxidation reactions (such as using silver mirror reaction or mild oxidants), and finally proceed with esterification. Another approach is to use Wittig reaction or Horner Wadsworth Emmons reaction to directly construct trans double bonds and generate α, β - unsaturated esters from acetaldehyde and corresponding phosphorus ylides (such as methoxymethyl triphenylphosphine). Uses : widely used to prepare food essence. Synonyms : Methyl-trans-3-hexenoate;methyl hex-3-enoate;Methyl 3-hexenoate; Molecular Structure : 
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Methyl 3-hexenoate