TPCN00987
![[object Object]](../../static/browser_molecular_png/TPCN00987.png)
| Name | Dibutyl phthalate |
| Molecular Formula | C16H22O4 |
| Molecular Weight | 278.35 |
| CAS Registry Number | 84-74-2 |
| SMILES | CCCCOC(=O)c1ccccc1C(=O)OCCCC |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Malvaceae | Abelmoschus sagittifolius | Stems | 0.004789% | Nat Prod Res 30(5): 565-569.（2016） | 10.1080/14786419.2015.1033624 |
Properties
| HBA | 4 | HBD | 0 |
| HeavyAtoms | 20 | AlogP | 3.60 |
| TPSA | 52.60 | RotatableBonds | 8 |
| FractionCSP3 | 0.50 | Rings | 1 |
| AromaticRings | 1 | AliphaticRings | 0 |