13678-60-9

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13678-60-9 Structure

Identification	Back Directory
[Name] FEMA 3283
[CAS] 13678-60-9
[Synonyms] FEMA 3283 FURFURYL ISOVALERATE FURFURYL 3-METHYLBUTANOATE FURFURYL METHYL-2-BUTENOATE FURFURYL 3-METHYLBUTANOATE 98+% furan-2-ylmethyl3-methylbutanoate Furfuryl 3-methylbutanoate >=98%, FG Butanoic acid, 3-methyl-, 2-furanylmethyl ester
[EINECS(EC#)] 237-171-8
[Molecular Formula] C10H14O3
[MDL Number] MFCD00129699
[MOL File] 13678-60-9.mol
[Molecular Weight] 182.22

Chemical Properties	Back Directory
[Boiling point ] 97-98 °C/11 mmHg(lit.)
[density ] 1.018 g/mL at 25 °C(lit.)
[FEMA ] 3283 \| FURFURYL 3-METHYLBUTANOATE
[refractive index ] n20/D 1.456(lit.)
[Fp ] 96 °C
[storage temp. ] 2-8°C
[Odor] at 100.00 %. berry fruity grape plum ripe
[biological source] synthetic
[Odor Type] fruity
[JECFA Number] 743
[Major Application] flavors and fragrances
[InChI] 1S/C10H14O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3
[InChIKey] FKGUIBCHHSHJNQ-UHFFFAOYSA-N
[SMILES] CC(C)CC(=O)OCc1ccco1
[LogP] 2.50
[EPA Substance Registry System] 2-Furanylmethyl isovalerate (13678-60-9)

Safety Data	Back Directory
[WGK Germany ] 3
[TSCA ] TSCA listed
[Storage Class] 10 - Combustible liquids

Hazard Information	Back Directory
[Description] Synthesis: By esterification of furfuryl alcohol with isovaleric chloride.
[Chemical Properties] Furfuryl isovalerate has a berry, fruity, ripe aroma.
[Occurrence] Reported found as a constituent in coffee aroma
[Definition] ChEBI: Furfuryl isovalerate is a fatty acid ester.
[Preparation] By esterifcation of furfuryl alcohol with isovaleric chloride.

Spectrum Detail	Back Directory
[Spectrum Detail] FEMA 3283(13678-60-9)¹HNMR FEMA 3283(13678-60-9)FT-IR

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