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. 2015 Oct 23;5:653–706. doi: 10.1016/j.dib.2015.09.053

Table 7.

Comparing rank of top 10 most concentrated VOCs with the calculated OAV in all cocaine samples. Bolded font signifies 1 g real cocaine (sample code D4/D5). Underlined font signifies 1 g surrogate cocaine (sample code E1).

Compound CAS Sample Code Rank conc. Rank OAV Change in ranking (Rank Conc. – Rank OAV)
Isobutanol 78-83-1 D 1 1 37 −36
Isobutyraldehyde 78-84-2 D 2 1 1 0
Acetic acid 64-19-7 D 3 1 2 −1
Acetic acid 64-19-7 D 4 1 1 0
Acetic acid 64-19-7 D 5 1 1 0
Methyl benzoate 93-58-3 E 1 1 1 0
n-Propyl acetate 109-60-4 D 1 2 8 −6
Isobutane 75-28-5 D 2 2 7 −5
n-Propyl acetate 109-60-4 D 3 2 9 −7
Ethylene oxide 75-21-8 D 4 2 23 −21
n-Propyl acetate 109-60-4 D 5 2 2 0
Isobutyrophenone 611-70-1 E 1 2 12 −10
Acetone 67-64-1 D 1 3 20 −17
4-methyldecane 2847-72-5 D 2 3 17 −14
Phenylethyl alcohol 60-12-8 D 3 3 1 +2
n-Propyl acetate 109-60-4 D 4 3 4 −1
Ethylacetate 141-78-6 D 5 3 10 −7
Ethylene oxide 75-21-8 E 1 3 8 −5
Butane 106-97-8 D 1 4 30 −26
2-methylpentane 107-83-5 D 2 4 18 −14
Toluene 108-88-3 D 3 4 10 −6
Ethylacetate 141-78-6 D 4 4 8 −4
2-butanone 78-93-3 D 5 4 12 −8
2-chloroacetophenone 532-27-4 E 1 4 3 +1
Tetradecane 629-59-4 D 1 5 38 −33
3,4,5-trimethyl-1-hexene 56728-10-0 D 2 5 19 −14
2-chloroacetophenone 532-27-4 D 3 5 3 +2
Diacetone alcohol 123-42-2 D 4 5 7 −2
Diacetone alcohol 123-42-2 D 5 5 8 −3
Dodecane 112-40-3 E 1 5 6 −1
Ethylacetate 141-78-6 D 1 6 10 −4
Isopropyl alcohol 67-63-0 D 2 6 9 −3
Benzaldehyde 100-52-7 D 3 6 4 +2
Acetone 67-64-1 D 4 6 14 −8
Acetone 67-64-1 D 5 6 18 −12
Ethyl octanoate 106-32-1 E 1 6 2 +4
Propanoic acid 79-09-4 D 1 7 1 +6
Ethanol 64-17-5 D 2 7 11 −4
2-ethylhexanol 104-76-7 D 3 7 7 0
1,2-diethyl hydrazine 1615-80-1 D 4 7 29 −22
Ethyl lactate 97-64-3 D 5 7 13 −6
Decane 124-18-5 E 1 7 7 0
Methyl benzoate 93-58-3 D 1 8 5 +3
Propylene glycol 57-55-6 D 2 8 20 −12
2-butanone 78-93-3 D 3 8 18 −10
Isopropyl alcohol 67-63-0 D 4 8 16 −8
Hexane 110-54-3 D 5 8 21 −13
1-undecanol 112-42-5 E 1 8 5 +3
2-chloroacetophenone 532-27-4 D 1 9 2 +7
Acetone 67-64-1 D 2 9 10 −1
Ethylacetate 141-78-6 D 3 9 13 −4
Propylene glycol 57-55-6 D 4 9 30 −21
Methyl thiocyanate 556-64-9 D 5 9 5 +4
Cyclohexane 110-82-7 E 1 9 11 −2
Isobutyrophenone 611-70-1 D 1 10 39 −29
methylhydrazine 60-34-4 D 2 10 21 −11
Isobutyraldehyde 78-84-2 D 3 10 5 +5
2-Hydroxyethylhydrazine 109-84-2 D 4 10 31 −21
Isopropyl alcohol 67-63-0 D 5 10 20 −10
Acetone 67-64-1 E 1 10 10 0

Code, see Section 1.5, corresponding to sample identification. ODT=odor detection threshold from Devos et al., [5].