HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Butyl p-hydroxybenzoate
SEC-BUTYLPARABEN · Einecs 241-697-3 · 2-Butyl p-hydroxybenzoate · SEC-BUTYL 4-HYDROXYBENZOATE · Hydroxybenzoicacidbutylester · butan-2-yl 4-hydroxybenzoate · sec-Butyl4-Hydroxybenzoate>sec-Butyl 4-Hydroxybenzoate · p-Hydroxybenzoic acid sec-butyl ester
Identifiers & Physical Properties
| CAS No. | 17696-61-6 |
|---|---|
| Molecular formula | C11H14O3 |
| Average molar mass | 194.23 g/mol |
| Monoisotopic mass | 194.09429431 g/mol |
| SMILES | CCC(C)OC(=O)c1ccc(O)cc1 |
| InChIKey | ZUOTXZHOGPQFIU-UHFFFAOYSA-N |
| PubChem CID | 86607 |
| ChEMBL | CHEMBL3182182 |
| EC No. | 241-697-3 |
| DTXSID | DTXSID5044607 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 46.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 183 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Collision Cross Section | 148.4 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID5044607] |
| Melting point | 60°C |
| Boiling point | 210 °C / 25mmHg |
| Density | 1.105 |
| Flash point | 125℃ |
| Storage conditions | 2-8°C |
| Solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| Color | White to Off-White |
| FDA UNII | 16V369U91O |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H319-H315 |
| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
| Safety statements (S) | 24/25 |
| Customs code | 2918290090 |
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 | 2918290090 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Safety statements (S) | 24/25 |
| GHS hazard statements | H319-H315 |
| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
Applications & Uses
Uses
Butan-2-yl 4-Hydroxybenzoate can be used as an oral spray to treat oral diseases.