Essential Oil Summary
| CAS | Area | Smiles | Formula | MW | Classify |
|---|---|---|---|---|---|
| 000096-37-7 | CC1CCCC1 | 65528011 | C6H12 | 84.094 | Cyclopentane |
| 000099-83-2 | C(C)(C)C1C=CC(C)=CC1 | 6658557 | C10H16 | 136.125 | Ketones |
| 000099-84-3 | C(C)(C)C1=CCC(=C)CC1 | 121100223 | C10H16 | 136.125 | Ketones |
| 000099-85-4 | C(C)(C)C1=CCC(C)=CC1 | 7788146 | C10H16 | 136.125 | Terpene |
| 000099-87-6 | C(C)(C)c1ccc(C)cc1 | 31056960 | C10H14 | 134.110 | Aromatics |
| 000110-54-3 | C(CCC)CC | 992820791 | C6H14 | 86.110 | Enol |
| 000123-35-3 | C(C=C)(=C)CC/C=C(\C)/C | 95158867 | C10H16 | 136.125 | Ketones |
| 000127-91-3 | C=C1C2C(C)(C)C(C2)CC1 | 1627758018 | C10H16 | 136.125 | Ketones |
| 000373-49-9 | O=C(O)CCCCCCC/C=C\CCCCCC | 7704308 | C16H30O2 | 254.225 | Enoic acid |
| 000469-61-4 | C[C@H]1[C@]23[C@H](C(C)(C)[C@H](C(C)=CC2)C3)CC1 | 5041074 | C15H24 | 204.188 | Ketones |
| 000473-15-4 | OC(C)(C)[C@H]1C[C@H]2C(=C)CCC[C@]2(C)CC1 | 10308737 | C15H26O | 222.198 | Phenols |
| 000483-76-1 | C(C)(C)[C@H]1[C@H]2C(=C(C)CC1)CCC(C)=C2 | 15735850 | C15H24 | 204.188 | Ketones |
| 000489-86-1 | OC(C)(C)[C@H]1CC=2[C@@H](C)CCC=2[C@@H](C)CC1 | 58722785 | C15H26O | 222.198 | Phenols |
| 000515-00-4 | OCC=1C2C(C)(C)C(C2)CC=1 | 11842422 | C10H16O | 152.120 | Aldehydes |
| 000515-13-9 | C(=C)(C)[C@H]1[C@@](C=C)(C)CC[C@@H](C(=C)C)C1 | 11770659 | C15H24 | 204.188 | Ketones |
| 000546-28-1 | C=C1[C@H]2C(C)(C)[C@H]3[C@]([C@H](C)CC3)(C2)CC1 | 7786434 | C15H24 | 204.188 | Ketones |
| 000547-61-5 | O[C@H]1C(=C)[C@@H]2C(C)(C)[C@H](C1)C2 | 11717314 | C10H16O | 152.120 | Phenols |
| 000583-48-2 | C(C(CC)C)(CC)C | 164088758 | C8H18 | 114.141 | Enol |
| 000586-62-9 | C(\C)(/C)=C\1/CC=C(C)CC/1 | 15727851 | C10H16 | 136.125 | Ketones |
| 000590-35-2 | C(CCC)(C)(C)C | 105071945 | C7H16 | 100.125 | Hexane |
| 001076-56-8 | O(C)c1c(C(C)C)ccc(C)c1 | 15563479 | C11H16O | 164.120 | Aromatic ether |
| 001686-15-3 | O=C(O[C@@H]1C(=C)[C@H]2C(C)(C)[C@@H](C1)C2)C | 4483619 | C12H18O2 | 194.131 | Alkene |
| 002867-05-2 | C(C)(C)C12C(C(C)=CC1)C2 | 11713402 | C10H16 | 136.125 | Ketones |
| 003338-55-4 | C(=C\C/C=C(\C)/C)(\C=C)/C | 12683830 | C10H16 | 136.125 | Conjugated triene |
| 003691-12-1 | C(=C)(C)[C@H]1CC=2[C@@H](C)CCC=2[C@@H](C)CC1 | 18283731 | C15H24 | 204.188 | Pentane |
| 003779-61-1 | C(=C/C/C=C(\C)/C)(\C=C)/C | 6998978 | C10H16 | 136.125 | Conjugated triene |
| 003856-25-5 | C(C)(C)[C@H]1[C@@H]2[C@H]3C(C)=CC[C@@H]2[C@@]3(C)CC1 | 9526016 | C15H24 | 204.188 | Ketones |
| 005655-61-8 | O=C(O[C@H]1[C@]2(C)C(C)(C)[C@H](C1)CC2)C | 6161266 | C12H20O2 | 196.146 | Alkene |
| 005937-11-1 | O[C@]1(C)[C@H]2[C@H]([C@H](C(C)C)CC1)C=C(C)CC2 | 10282691 | C15H26O | 222.198 | Phenols |
| 006379-73-3 | O(C)c1c(C)ccc(C(C)C)c1 | 86606659 | C11H16O | 164.120 | Aromatic ether |
| 006750-60-3 | O[C@@]([C@@]1([H])[C@@](C2(C)C)([H])[C@@]2([H])CC3)(C)CC[C@@]1([H])C3=C | 20738575 | C15H24O | 220.183 | Phenols |
| 007216-56-0 | C(\C=C\C=C(/C)\C)(=C\C)/C | 4138670 | C10H16 | 136.125 | Conjugated alkene |
| 007785-26-4 | CC1(C)[C@@H]2C(C)=CC[C@H]1C2 | 286909974 | C10H16 | 136.125 | Na |
| 013851-11-1 | C(C)(=O)OC1C2(CCC(C1(C)C)C2)C | 31946043 | C12H20O2 | 196.146 | Alkene |
| 014753-08-3 | COC1=C(C=C(C(=C1)C(C)C)OC)C | 7457143 | C12H18O2 | 194.131 | Aromatic ether |
| 017066-67-0 | C(=C)(C)[C@H]1C[C@H]2C(=C)CCC[C@]2(C)CC1 | 11954508 | C15H24 | 204.188 | Ketones |
| 017334-55-3 | C[C@H]1[C@]2(C)[C@@H]3C(C)(C)[C@@H]3CCC2=CCC1 | 16132229 | C15H24 | 204.188 | Ketones |
| 019883-29-5 | C(\C=C\CCCCC)=C/C=C | 13847609 | C11H18 | 150.141 | Conjugated triene |
| 020071-49-2 | C=C1[C@H]2[C@@](C)(CC[C@@H]3C(C)(C)[C@H]23)CCC1 | 12442655 | C15H24 | 204.188 | Ketones |
| 020126-76-5 | O[C@@]1(C(C)C)CC=C(C)CC1 | 4128532 | C10H18O | 154.136 | Phenols |
| 022451-73-6 | OC(C)(C)[C@H]1C[C@H]2[C@@H](C)CCC2=C(C)CC1 | 52785407 | C15H26O | 222.198 | Phenols |
| 022469-52-9 | C(C)(C)C1C2C3C4(C)C(C)(C2CC34)CC1 | 15033507 | C15H24 | 204.188 | Ketones |
| 023986-74-5 | C(C)(C)[C@H]1/C=C/C(=C)CC/C=C(\C)/CC1 | 7824267 | C15H24 | 204.188 | Conjugate diene |
| 026783-22-2 | CC1(C)C23C(C(C)(C)CCC2)=CC1CC3 | 7843547 | Na | 204.188 | Na |
| 029050-33-7 | C12CC(C=CC1C2(C)C)C | 29551977 | C10H16 | 136.125 | Ketones |
| 030021-74-0 | C(C)(C)[C@@H]1[C@@H]2[C@H](C(=C)CC1)CCC(C)=C2 | 7746576 | Na | 204.188 | Na |
| 036577-33-0 | C(C)(C)C1=C[C@@H]2[C@H](C)CC[C@@H]2C(C)=CC1 | 3763319 | C15H24 | 204.188 | Na |
| 039029-41-9 | C(C)(C)[C@@H]1[C@@H]2[C@@H](C(=C)CC1)CCC(C)=C2 | 12019661 | C15H24 | 204.188 | Ketones |
| 051447-08-6 | C(\C=C\CCCCC)=C\C=C | 28954895 | C11H18 | 150.141 | Conjugated triene |
| 060909-28-6 | CC1(C)OC[C@]2(C)[C@@H](C=C)[C@]12[H] | 7568759 | C15H24 | 204.188 | Conjugate diene |
| 068998-21-0 | CC1(C(C1)C=CC(=C)C)C | 148826358 | Na | 136.125 | Na |
| 080923-88-2 | C=C1C2C(C(C)(C)CCC1)C=C(C)CC2 | 4147073 | C15H24 | 204.188 | Ketones |
| 1000190-57-4 | C1(=CCCC1)C(C)(C)C1C(CCC1)=O | 34040950 | Na | 192.151 | Na |
| 1000365-86-7 | CC1C(C)CC2=CCCC3[C@@H](C)CC1=C32 | 18784487 | Na | 204.188 | Na |
| 1000411-50-1 | CC12CCC(CC2C(=CCC1)C)C(C)(C)O | 9001019 | Na | 222.198 | Na |
| 1000411-59-6 | CC1=CCC(C(C)(O)C)CC1 | 4345465 | Na | 154.136 | Na |
| 117066-77-0 | C[C@]12CC[C@@H](CC2=C(CCC1)C)C(C)(C)O | 9743870 | Na | 222.198 | Na |