Odorants & Odorless Compounds

Odorants are volatile and largely hydrophobic organic compounds possessing odors while odorless compounds are chemicals which do not possess or are associated with any odor. OlfactionBase comprises of 3985 odorant molecules representing an array of odors and 1124 odorless compounds. Odorant molecules are classified by 30 functional groups such as (acid, alcohol, aldehyde, alkane, cyclic, ether, ester, ketone, thiol, etc.). Each molecule entry includes detail information about physicochemical properties, odor profile, pharmacokinetic profile and drug likeness and cross-references to other biological databases. Among 3985 odorant molecules, 197 molecules are associated with 156 Olfactory receptors belonging to two species (Human and Mus musculus). The user-friendly interface of Olfactionbase facilitates exploration of chemicals in various ways: search chemical compounds with CAS No., odor and sub-odors, functional group, SMILES notation and molecular weight.

 

 

Sr.No. Name SMILES CAS No Mol. Wt. Mol. Formula PubChem ZINC #OR's #Odors Details
1151 2,6-Dimethylbenzenethiol CC1=C(C(=CC=C1)C)S 118-72-9 138.23 C8H10S 61045 ZINC19735105 0 10 View
1152 Isobutyl benzoate CC(C)COC(=O)C1=CC=CC=C1 120-50-3 178.23 C11H14O2 61048 ZINC406974 0 12 View
1153 Octyl phenylacetate CCCCCCCCOC(=O)CC1=CC=CC=C1 122-45-2 248.36 C16H24O2 61050 ZINC1851018 0 7 View
1154 3-Phenylpropyl propionate CCC(=O)OCCCC1=CC=CC=C1 122-74-7 192.25 C12H16O2 61052 ZINC1687392 1 5 View
1155 4-Methoxybenzyl formate COC1=CC=C(C=C1)COC=O 122-91-8 166.17 C9H10O3 61054 ZINC1687335 0 9 View
1156 Rhodinyl isobutyrate CC(C)C(=O)OCCC(C)CCCC(=C)C 138-23-8 226.36 C14H26O2 61085 ZINC1851001 0 8 View
1157 Rhodinyl formate CC(CCCC(=C)C)CCOC=O 141-09-3 184.28 C11H20O2 61092 ZINC1850996 0 6 View
1158 Rhodinyl butyrate CCCC(=O)OCCC(C)CCCC(=C)C 141-15-1 226.36 C14H26O2 61093 ZINC1850991 0 6 View
1159 Octyl propionate CCCCCCCCOC(=O)CC 142-60-9 186.29 C11H22O2 61096 ZINC1732431 0 9 View
1160 Linalyl propionate CCC(=O)OC(C)(CCC=C(C)C)C=C 144-39-8 210.31 C13H22O2 61098 ZINC1677809 0 10 View
1161 2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde CC1=C(C(CCC1)(C)C)CC=O 472-66-2 166.26 C11H18O 61124 ZINC4529159 0 7 View
1162 beta-Caryophyllene alcohol CC1(CC2C1CCC3(CCCC2(C3)O)C)C 472-97-9 222.37 C15H26O 61125 ZINC5762533 0 5 View
1163 Verbenol CC1=CC(C2CC1C2(C)C)O 473-67-6 152.23 C10H16O 61126 ZINC1081109 0 4 View
1164 Myrtenal CC1(C2CC=C(C1C2)C=O)C 564-94-3 150.22 C10H14O 61130 ZINC100019075  0 11 View
1165 Benzyl butyl ether CCCCOCC1=CC=CC=C1 588-67-0 164.24 C11H16O 61134 ZINC1081109 0 2 View
1166 Butyl valerate CCCCC(=O)OCCCC 591-68-4 158.24 C9H18O2 61137 ZINC1850963 0 9 View
1167 4-Pentenoic acid C=CCCC(=O)O 591-80-0 100.12 C5H8O2 61138 ZINC1648357 0 6 View
1168 Methyl 2-methoxybenzoate COC1=CC=CC=C1C(=O)OC 606-45-1 166.17 C9H10O3 61151 ZINC409176 0 5 View
1169 1-Methoxy-2-vinylbenzene COC1=CC=CC=C1C=C 612-15-7 134.18 C9H10O 61153 ZINC1850962 0 4 View
1170 2-Methoxyphenyl acetate CC(=O)OC1=CC=CC=C1OC 613-70-7 166.17 C9H10O3 61155 ZINC389574 0 14 View
1171 Glyceryl tribenzoate C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3 614-33-5 404.41 C24H20O6 61156 ZINC1577210 0 5 View
1172 o-Tolyl salicylate CC1=CC=CC=C1OC(=O)C2=CC=CC=C2O 617-01-6 228.24 C14H12O3 61159 ZINC1692348 0 2 View
1173 Furfuryl propionate CCC(=O)OCC1=CC=CO1 623-19-8 154.16 C8H10O3 61166 ZINC1668232 0 8 View
1174 Furfuryl butyrate CCCC(=O)OCC1=CC=CO1 623-21-2 168.19 C9H12O3 61167 ZINC1668231 0 3 View
1175 S-Ethyl thioacetate CCSC(=O)C 625-60-5 104.17 C4H8OS 61171 ZINC1850956 0 6 View
Showing 1151 to 1175 of total 3985 entries