Identified chemicals were ethanol, ethyl propionate, ethyl butyrate, ethyl 2-methylbutyrate, ethyl decanoate, ethyl dodecanoate, D-limonene, sorbic acid, benzoic acid, methyl anthranilate, and dimethyl anthranilate.
Ten chemicals identified by GC-MS in volatiles of Frutibases grape juice concentrate were obtained from various sources: ethyl propionate (Sigma-Aldrich Chemical Co., Milwaukee, WI, 99% purity); ethyl butyrate (Sigma-Aldrich, 99%); ethyl 2-methylbutyrate (Sigma-Aldrich, 99%); ethyl decanoate (Sigma-Aldrich, 99%); ethyl dodecanoate (Pfaltz & Bauer, Inc., Waterbury, CT, 98%); D-limonene (Sigma-Aldrich, 97%); sorbic acid (Sigma-Aldrich, 99%); benzoic acid (Fisher Scientific, Fair Lawn, NJ, 99%); methyl anthranilate (ABCR GmbH & Co., Karlsruhe, Germany, 99%); and dimethyl anthranilate (ABCR GmbH & Co., 93%).
The final synthetic grape essence mixture contained 3.0 [micro]L ethyl propionate, 2.0 [micro]L ethyl butyrate, 0.3 [micro]L ethyl 2-methylbutyrate, 0.1 [micro]L D-limonene, 0.16 g benzoic acid, 7.0 [micro]L methyl anthranilate, 0.3 [micro]L ethyl decanoate, 7.0 [micro]L dimethyl anthranilate, and 4.4 [micro]L ethyl dodecanoate dissolved 100 mL of a 10% Tween 85 in RO water.
All 11 chemicals identified by GC-MS have above 90% computer matches to mass spectra in the NIST 98 Library of Mass Spectra and Subsets except ethyl propionate which had a 64% match (Table 1).
These were ethyl propionate, ethyl dodecanoate, benzoic acid, and sorbic acid.
These were ethyl propionate, ethyl butyrate, ethyl decanoate, ethyl dodecanoate, D-limonene, benzoic acid, and dimethyl anthranilate.
These were ethyl propionate, ethyl butyrate, ethyl 2-methylbutyrate, ethyl decanoate, D-limonene, benzoic acid, and methyl anthranilate.
Similarities were calculated as: ethyl propionate, 42.0; ethyl butyrate, 60.7; ethyl 2-methyl butyrate, 54.2; D-limonene, 43.6; benzoic acid, -30.9; methyl anthranilate, -42.7; ethyl decanoate, 89.8; dimethyl anthranilate, 56.1; and ethyl dodecanoate, -36.6.
The low match for ethyl propionate (64%)is not unusual in these types of analyses because interfering peaks in complex samples, such as grape juice, contribute to the MS of the targeted peaks making matching difficult.
(1965) found additional compounds including isopropyl acetate, isopropanol, ethyl propionate, propyl acetate, propanol, 2-methyl-3-buten-2-ol, ethyl butyrate, isobutanol, butanol, 2-methylbutanol, 3-methylbutanol, and ethyl hexanoate.