HuagongsheHuagongshe Chemistry Print Report · For research reference only
Nonyl 4-Hydroxybenzoate
nonylparaben · N-NONYLPARABEN · NONYL P-HYDROXYBENZOATE · NONYL 4-HYDROXYBENZOATE · N-NONYL 4-HYDROXYBENZOATE · Nonyl4-Hydroxybenzoate>n-Nonyl 4-Hydroxybenzoate D4 · 4-hydroxybenzoic acid nonyl ester · p-Hydroxybenzoic acid nonyl ester
Identifiers & Physical Properties
| CAS No. | 38713-56-3 |
|---|---|
| Molecular formula | C16H24O3 |
| Average molar mass | 264.36 g/mol |
| Monoisotopic mass | 264.17254462 g/mol |
| SMILES | CCCCCCCCCOC(=O)c1ccc(O)cc1 |
| InChIKey | MBNSKHJDYXPONL-UHFFFAOYSA-N |
| PubChem CID | 586708 |
| ChEMBL | CHEMBL2271362 |
| EC No. | 679-685-9 |
| DTXSID | DTXSID9047885 |
Chemical & Physical Properties
| XLogP | 5.9 |
|---|---|
| Topological polar surface area | 46.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 10 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 232 |
| Pesticides | Biocide |
| Melting point | 44°C |
| Boiling point | 367.59°C (rough estimate) |
| Density | 1.0468 (rough estimate) |
| Refractive index | 1.5400 (estimate) |
| Storage conditions | 2-8°C |
| Physical state | powder to crystal |
| Color | White |
| Solubility | 1.275g/L(25 ºC) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H317-H319 |
| GHS precautionary statements | P261-P264-P272-P280-P302+P352+P333+P313+P363-P305+P351+P338+P337+P313-P501 |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36/37/39 |
| Customs code | 29163990 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Customs code | 29163990 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Safety statements (S) | 26-36/37/39 |
| GHS hazard statements | H315-H317-H319 |
| GHS precautionary statements | P261-P264-P272-P280-P302+P352+P333+P313+P363-P305+P351+P338+P337+P313-P501 |
Applications & Uses
Uses
Nonyl 4-Hydroxybenzoate-d4 is labelled Nonyl 4-Hydroxybenzoate which was used to prepare 4-[(aminosulfonyl)oxy] benzoic acid derivatives as potent inhibitors of the enzyme estrone sulfatase (ES). It was also used to synthesize sulfonylbenzoic acid esters as potential inhibitors of oestrone sulphatase with antitumor activities.