CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless liquid; refreshing, spicy-herbaceous odour |
|---|---|
| Solubility | Insoluble in water; soluble in oils |
| Density | 0.984-0.990 |
| LogP | 2.98 |
| Refractive Index | 1.496-1.507 |
| Kovats Retention Index | 1187 1175 1165 1169 1170 1176 1157 1165 1172 1168 1172 1179 1165 1165 1170 1165 1170 1164 1171 1166 1176 1165 1168 1188 1168 1151.46 1155.93 1160.56 1165.32 1170.25 1175.32 1180.54 1185.89 1191.36 1196.22 1173 1171 1173 1173 1169 1155 1169 1181 1169 1181.3 1153 1163 1172 1194 1172 1165 1163 1193 1153 1172 1173 1153 1174 1197 1158 1191 1167 1172 1165 1153 1168 1196 1171 1171 1165 1178 1159 1165 1181 1192 1174 1153 1173 1178 1180 1180 1166 1166 1188 1166 1162 1166 1165 1153 1175 1182 1173 1173 1165 1170 1175 1220 1176 1171 1173 1153 1174 1175 1165 1153 1171 1169 1169 1173 |
COMPUTED DESCRIPTORS
| Molecular Weight | 150.22 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 150.104465066 g/mol |
| Monoisotopic Mass | 150.104465066 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 225 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Myrtenal is a natural product found in Xylopia aromatica, Xylopia sericea, and other organisms with data available.