. 2023 Dec 11;37(1):16–19. doi: 10.1021/acs.chemrestox.3c00292

Table 3. Predicted EC3 Values for Primary Alcohols Based on Metabolic Activation to Their Sulfates.

Alcohol	LogP	Logk range	Pred. EC3 (%)	Observed potency
Lauryl alcohol	5.19	–5.47 to −6.4	83–366	No LLNA data. Not classified as a sensitizer
C₁₂H₂₅OH	5.19	–5.47 to −6.4	83–366	No LLNA data. Not classified as a sensitizer
Benzyl alcohol	1.10	–3.25 to −4.18	19–84	EC3 > 50%.²¹ Human potency category^c 4²²
PhCH₂OH	1.10	–3.25 to −4.18	19–84	EC3 > 50%.²¹ Human potency category^c 4²²
Geraniol^a	2.75	–3.65 to −4.58	18–79	EC3, 26%.¹ Human potency category 4²²
Farnesol^b	4.77	–3.65 to −4.58	7.2–32	EC3, 5.5%.²³ Human potency category 3²²

Geraniol: Me₂C=CH(CH₂)₂C(Me)=CHCH₂OH

Farnesol: Me₂C=CH(CH₂)₂C(Me)=CH(CH₂)₂C(Me)=CHCH₂OH

Chemicals with human sensitization information have been classified into six human potency categories²⁴ ranging from 1 (extreme sensitizers) to 6 (nonsensitizers). Category 5 sensitizers are treated for regulatory purposes as nonsensitizers; category 4 sensitizers can be considered as weak sensitizers and are defined as requiring considerable/prolonged exposure to higher dose levels to produce sensitization, which even then is unlikely to exceed 0.01% of those exposed; category 3 sensitizers can be considered as moderate sensitizers and are defined as substances that may be quite well-known as contact allergens, but for which a substantial degree of exposure typically is necessary to produce sensitization in 0.01% to 0.1% of those exposed.