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. 2023 Sep 26;28(19):6810. doi: 10.3390/molecules28196810

Table 12.

Fermentation congeners in SCJS (AR: agricultural rum; C: cachaça; G: Grogue). Concentration range in mg/L or mg/100 mL aa and their sensory descriptor.

ORGANIC ACIDS
Name N° CAS Concentration (mg/L) Type of SCJS Pungent Vinegar Milk/Butter Rancid/Sour Sweaty Oily/Fatty Waxy Soapy References
Non-Aged Aged
Short-chain aliphatic acids (≤C5)
Formic acid 64-18-6 1.90–4.50 5.9–29.90 C ■ [54,161]
Acetic acid 64-19-7 14.60–1211 125–848 C-AR ■ [51,71,122,125,144,145]
Glycolic acid 79-14-1 <LOD to 0.16 <LOD to 6.71 C ■ [122,162]
Propionic acid 79-09-4 0.0001-0.00396 a - C ■ ■ ■ [54,103,163,164]
Pyruvic acid 127-17-3 <LOD to 0.40 <LOD to 3.91 C ■ ■ [122,162]
Lactic acid 50-21-5 0.32–883 4.89–64.50 C ■ [122]
Isobutyric acid 79-31-2 0.43 - C ■ ■ ■ [163,164,165]
Butyric acid 107-92-6 0.00096–2.30 0.563 C-AR ■ ■ ■ [54,103,144,163,164,165]
Succinic acid 110-15-6 <LOD to 0.05 <LOD to 0.61 C ■ [122,162]
(S)-2-Methylbutanoic acid 1730-91-2 - 0.865 AR [144]
Isovaleric acid 503-74-2 - - AR ■ ■ ■ [144]
Valeric acid 109-52-4 - 0.89 a AR ■ ■ [54,166]
2-Methylvaleric acid, 97-61-0 - - C ■ ■ [166]
3-Methylvaleric acid 105-43-1 - - C ■ ■ [54]
Citramalic acid 597-44-4 <LOD to 0.10 <LOD to 0.80 C [122]
Medium-chain saturated fatty acids (C6 to C10)
Caproic acid 142-62-1 0.0016–0.0047 a - C ■ ■ ■ [54,103,163,164,166]
Enanthic acid 111-14-8 0.00011–0.00093 a - C ■ [54,103]
Caprylic acid 124-07-2 0.001–0.004 0–0.29 C ■ ■ [54,103,144,163,164,167]
Pelargonic acid 112-05-0 0.00055–0.00175 a - C ■ ■ [103,166]
Capric acid 334-48-5 0–0.91 0–11.40 C-AR ■ ■ ■ [54,103,122,144,163,164,167]
Long-chain saturated fatty acids (>C10)
Lauric acid 143-07-7 0.00032–0.48 0–2.94 C ■ [54,54,103,122,167]
Myristic acid 544-63-8 0.01–0.37 <LOD to 5.16 C ■ ■ ■ ■ [54,122]
Pentadecanoic acid 1002-84-2 - - C ■ [54]
Palmitic acid 57-10-3 0.003–0.73 0.10–1.44 C ■ ■ ■ [54,103,122,164]
Octadecadienoic acid 59404-49-8 - - C ■ [54,103,122]
Octadecenoic acid 2825-79-8 - - C ■ ■ [54]
ALDEHYDES & KETONES
Methanol 67-56-1 1.07–66 0–100 C ■ ■ [122,125,152,163,167]
Propanol 71-23-8 21.99 b–329 3.76–409 C-G-AR ■ ■ ■ [10,73,74,89,122,163,164,166]
Propylene glycol 57-55-6 0.00008–0.010 a - C ■ [103,162]
Glycerol 56-81-5 <LOD to 5.30 <LOD to 66 C ■ [127,162]
1,3-Butanediol 107-88-0 0.00004–0.00062 - C ■ [103]
Saturated fatty alcohols (>C4)
1-Butanol 71-36-3 <LOD to 10.30 0–9 C-AR ■ ■ [10,54,122,145,147,164,167]
Isobutanol 78-83-1 2.88–256 0–452 C-G-AR ■ ■ ■ [51,54,81,122,144,166,167,168]
2-Butanol 78-92-2 <LOD to 78.20 <LOD to 269 C ■ ■ [122,125,162]
Amyl alcohol 71-41-0 0.05–0.20 c - C ■ ■ ■ [163,168]
Isoamyl alcohol 123-51-3 152–937 450–1290 C-G-AR ■ ■ ■ ■ [51,54,81,122,144,147,163,167,168]
2-Methyl-1-butanol 137-32-6 48.02 - C ■ ■ ■ ■ [48,144,162,163,166]
(S)-2-Methyl-1-butanol 1565-80-6 - 245 a AR ■ [144,162]
1-Hexanol 111-27-3 0.00008–9.30 0.644–18.1 C-AR ■ ■ [10,103,122,154,163]
3-Methyl-1-pentanol 589-35-5 0.00042 a–0.00118 a - C ■ ■ [103,162]
Enanthic alcohol 111-70-6 0.00031–0.00064 - C ■ ■ ■ [103,163]
2-Heptanol 543-49-7 - 3.38–4.54 AR ■ [10,166]
Caprylic alcohol 111-87-5 0.00086–0.00163 8.05–8.46 C-AR ■ ■ [10,103,163]
3-Octanol 589-98-0 - 0.32–0.35 AR ■ ■ ■ [10,162]
4-Octanol 589-62-8 0.00042 a–0.00373 a - C [103]
Pelargonic alcohol 143-08-8 - 3.40–50 AR ■ ■ [10,162]
Capric alcohol 112-30-1 - 0.018–12.12 AR ■ ■ [10,154,162]
Lauryl alcohol 112-53-8 0.00045–0.04 4.15–8.67 C-AR ■ [10,103,162,168]
Myristyl alcohol 112-72-1 0.16 4.45–7.50 AR ■ ■ [10,162,168]
Cetyl alcohol 36653-82-4 6.13 c 0.31–1.05 C-AR ■ [10,162,168]
Unsaturated fatty alcohols
trans -3-Hexen-1-ol 928-97-2 0.00008–0.0007 - C [103,162]
3-Decen-1-ol 10339-60-3 - 2.92–3.64 AR ■ [10]
Saturated aldehydes
Methanal 50-00-0 0–20.40 2.04–16.70 C [51,122,130,169]
Acetaldehyde (ethanal) 75-07-0 5.7–200 1.55–439 C-AR ■ ■ ■ [10,51,74,80,89,122,164,165,167,169]
Propionaldehyde 123-38-6 0–0.55 b <LOD to 0.92 C ■ ■ [51,122,125,130,169]
Butyraldehyde 123-72-8 <LOD to 22 <LOD to 1.34 C ■ [122,169]
Acetoin 513-86-0 0.914 - C ■ ■ [163,165]
Valeraldehyde 110-62-3 <LOD to 0.31 c - C ■ [51,169]
(R)-2-Methylbutyraldehyde 33204-48-7 - 0.0189 a AR [144]
(S)-2-Methylbutyraldehyde 1730-97-8 - 0.0274 a AR ■ [144]
Isovaleraldehyde 590-86-3 <LOD to 0.09 0.233 a C-AR ■ [51,125,144,169]
Hexanaldehyde (hexanal) 66-25-1 <LOD to 0.77 <LOD to 1.07 C-AR ■ ■ [10,122,144]
Heptaldehyde (heptanal) 111-71-7 - - C ■ ■ [71,162]
Caprylaldehyde (octanal) 124-13-0 - 0.77–0.93 AR ■ ■ ■ [10,145,165]
Pelargonaldehyde (nonanal) 124-19-6 - 2.44–2.72 AR ■ [10]
Capraldehyde (decanal) 112-31-2 - 0.68–0.87 AR ■ [10]
Unsaturated aldehydes
Acrolein/acrylaldehyde 107-02-8 0–5.80 b <LOD to 0.36 C ■ [122,130,169]
Crotonaldehyde 123-73-9 <LOQ to 5.32 c - C [51]
2,4-Nonadienal 5910-87-2 - - C ■ ■ ■ [71]
trans -2-Nonenal 18829-56-6 - - C ■ [71]
trans -trans-2,4-Decadienal 25152-84-5 - 0.00115 a AR ■ ■ ■ [144]
Ketones
Acetone 67-64-1 0–23 <LOD to 6.90 C ■ ■ ■ [122,125,130,167]
Diacetyl 431-03-8 0–9.77 0.0437 C-AR ■ [71,125,130,144,145,167,170]
Cyclopentanone 120-92-3 0–2.87 - C [51,167]
1-Octen-3-one 4312-99-6 - - C ■ ■ [71,162]
2-Nonanone 821-55-6 0–0.00028 a 0.87–2.55 C-AR ■ ■ ■ [10,103]
2-Undecanone 112-12-9 - 0.94–1.72 AR ■ ■ [10]
2-Pentadecanone 2345-28-0 - 0.97–2.14 AR [10]
Acetals
Acetal 105-57-7 - 25 a AR ■ ■ ■ [71,144,164,171]
1,1,3-Triethoxypropane 7789-92-6 - - C ■ [172,173]
ESTERS
Ethyl formate 109-94-4 - - C ■ ■ ■ [54]
Methyl propionate 554-12-1 0.08 - C ■ ■ [162,168]
Ethyl acetate 141-78-6 1.56 c–623 c 15.5–1160 C-AR ■ ■ ■ [10,51,54,74,80,122,163,167,168,169]
Ethyl acrylate 140-88-5 - - C ■ [71]
Ethyl lactate 97-64-3 <LOD to 75.90 2.21–120 C-AR ■ ■ ■ [10,122,125,130]
Ethyl isobutyrate 97-62-1 - - C ■ ■ [71,171]
Ethyl butyrate 105-54-4 <LOD to 19.70 c <LOD to 3.20 C-AR ■ ■ [54,71,122,144,163,171,174]
Isoamyl acetate 123-92-2 - 1.06 a–13.83 AR ■ ■ ■ [10,54,71,144,163,166,171]
Ethyl valerate 539-82-2 - 0.0515–2.02 AR ■ [10,144]
Ethyl isovalerate 108-64-5 - 0.211 a–2.56 AR ■ ■ [10,144,154,166]
Ethyl 2-methylbutyrate 7452-79-1 - - C-AR ■ [71,144,171]
Ethyl(S)-2-methylbutanoate 10307-61-6 - 0.23 AR ■ [144]
Propyl butyrate 105-66-8 0.08 - C ■ ■ [162,168]
Ethyl caproate 123-66-0 <LOD to 9.84 b 0.55–66.42 C-AR ■ ■ ■ [10,54,103,122,130,144,163,164,171]
Diethyl succinate 123-25-1 0.00308–0.0069 - C ■ ■ [103,164]
Amyl propionate 624-54-4 0.02 c - C ■ ■ [168]
2-Hexyl acetate 5953-49-1 - - C ■ [54,162]
Ethyl enanthate 106-30-9 0.05 c 3.29–4.07 C-AR ■ [10,162,168]
Ethyl cyclohexanoate 3289-28-9 - 0.00103 a AR ■ [144,162]
Ethyl caprylate 106-32-1 0–16.28 586.18–723.19 C-AR ■ [10,54,103,130,163,164,171,174]
Isoamyl valerate 2050-09-1 0.01 c - C ■ [162,168]
Ethyl pelargonate 123-29-5 0.1508–0.552 15.47–21.45 C-AR ■ ■ ■ [10,166,174]
Methyl caprate 110-42-9 - 0.00004–0.00033 a AR ■ ■ ■ [154]
Ethyl caprate 110-38-3 0.132 c–13.01 c - C ■ ■ ■ ■ [10,54,130,170,171,174]
Isoamyl octanoate 2035-99-6 0.0666 c–0.234 c - C ■ ■ ■ ■ [162,174]
Ethyl laurate 106-33-2 0.015 a–4.03 c - C ■ ■ ■ ■ ■ [10,54,103,174]
Ethyl myristate 124-06-1 0.00042 a–0.00706 a - C ■ ■ [103,162]
Ethyl palmitate 628-97-7 - - C ■ [54,162]
Ethyl 9-hexadecenoate 54546-22-4 0.00088–0.00175 a - C [103]
Methyl linoleate 112-63-0 - - C ■ [54,162]
Ethyl margarate 14010-23-2 - - C [54]
Ethyl linolate 544-35-4 - - C ■ ■ [54,162]
Ethyl stearate 111-61-5 - - C ■ [54,162]

a Value in μg/L in the reference and converted in mg/L, b value in mg/100 mL aa and converted in mg/L with alcohol strength indicated in the article, c value in mg/100 mL aa, - value not found in the literature.