HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzoic acid, 4-hydroxy-, dodecyl ester
LAURYLPARABEN · DODECYLPARABEN · NDODECYLPARABEN · LAURYL P-HYDROXYBENZOATE · LAURYL 4-HYDROXYBENZOATE · DODECYL 4-HYDROXYBENZOATE · DODECYL P-HYDROXYBENZOATE · N-DODECYL P-HYDROXYBENZOATE
Identifiers & Physical Properties
| CAS No. | 2664-60-0 |
|---|---|
| Molecular formula | C19H30O3 |
| Average molar mass | 306.4 g/mol |
| Monoisotopic mass | 306.21949481 g/mol |
| SMILES | CCCCCCCCCCCCOC(=O)c1ccc(O)cc1 |
| InChIKey | BAYSQTBAJQRACX-UHFFFAOYSA-N |
| PubChem CID | 17569 |
| ChEMBL | CHEMBL486647 |
| EC No. | 220-195-8 |
| DTXSID | DTXSID9047883 |
Chemical & Physical Properties
| XLogP | 7.5 |
|---|---|
| Topological polar surface area | 46.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 13 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 270 |
| Melting point | 54-56°C |
| Boiling point | 423.8±18.0 °C(Predicted) |
| Density | 0.997±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 8.22±0.15(Predicted) |
| Physical state | powder to crystal |
| Color | White |
| BRN | 2739355 |
| CAS DataBase Reference | 2664-60-0(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | TN2AFL5PYK |
| NIST Chemistry Reference | Dodecyl p-hydroxybenzoate(2664-60-0) |
| 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 |
| Safety statements (S) | 22-24/25 |
| RTECS number | DH2185600 |
| Customs code | 2918.29.7500 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye 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. |
|---|---|
| Regulatory information | Chemical: Benzoic acid, 4-hydroxy-, dodecyl ester |
| Other safety information | IMAP assessments - Parabens: Environment tier II assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%) |
| RTECS number | DH2185600 |
| Customs code | 2918.29.7500 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Safety statements (S) | 22-24/25 |
| 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
Dodecyl 4-hydroxybenzoate is a C12 alcohol ester of the paraben family. It has excellent antibacterial activity and shows great promise as a food preservative and feed additive. Parabens, also known as p-hydroxybenzoic acid esters, usually refer to esters formed from p-hydroxybenzoic acid and fatty alcohols. They are internationally recognized as broad-spectrum and highly effective food preservatives.