GDP formulation GDP formulation MINLP-SVC formulation MINLP-SVC formulation
Recipe \(V_{i}\)* Recipe \(V_{i}\)*
Top note fragrance benzyl acetate 1.6 octanal 2.0
limonene 0.5 benzyl acetate 1.5
octyl acetate 0.3 limonene 1.3
benzylidene acetal 0.3
Middle note fragrance heliotropin 1.9 lilyall 2.1
2-undecanone 1.6 phenethyl isobutyrate 1.7
1-phenylethanol 0.3 heliotropin 1.3
lilyall 0.3 amyl phenylacetate 1.0
1-phenylethanol 0.7
Base note fragrance sandal hexanol 1.9 phenylacetic acid 4.9
benzoin 1.4 maltol 1.6
coumarin 0.3 benzoin 1.3
phenylethyl phenylacetate 0.3
Solvent ethanol 77.6 ethanol 70.8
water 12.3 water 9.2
LD50 6815 mg/kg 6815 mg/kg 7139 mg/kg 7139 mg/kg
Flash point 15.1 °C 15.1 °C 15.1 °C 15.1 °C
Homogeneous All fragrances dissolved ** All fragrances dissolved ** All fragrances dissolved*** All fragrances dissolved***
OTTN Lemon-like Lemon-like Lemon-like Lemon-like
Sensorial rating 92.4 92.4 98.3 98.3
*Volume fraction in percentage (%) **Volume solubility data in Table S3 ***Volume solubility data in Table S4 *Volume fraction in percentage (%) **Volume solubility data in Table S3 ***Volume solubility data in Table S4 *Volume fraction in percentage (%) **Volume solubility data in Table S3 ***Volume solubility data in Table S4 *Volume fraction in percentage (%) **Volume solubility data in Table S3 ***Volume solubility data in Table S4 *Volume fraction in percentage (%) **Volume solubility data in Table S3 ***Volume solubility data in Table S4