CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Almost odourless, small, colourless crystals or a white, crystalline powder |
|---|---|
| Color/Form | Small, colorless crystals or powder at room temperature |
| Odor | Odorless |
| Boiling Point | 297-298 °C (decomposition) |
| Melting Point | ofp-hydroxybenzoic acid isolated by acidification and not recrystallised: 213 °C to 217 °C, after vacuum drying in a sulphuric acid desiccator |
| Solubility | In water, 8.85X10+2 mg/L at 25 °C |
| Vapor Pressure | 0.0000929 [mmHg] |
| LogP | log Kow = 2.47 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Ionization Efficiency | Positive |
| Dissociation Constants | pKa = 8.34 |
| Collision Cross Section | 125.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 1467 1479.7 |
| Other Experimental Properties | ODORLESS /ESTERS OF PARA-HYDROXYBENZOIC ACID/ |
| Chemical Classes | Other Uses -> Preservatives |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H334:Sensitisation, respiratory |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P284:Wear respiratory protection. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 166.17 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 166.062994177 g/mol |
| Monoisotopic Mass | 166.062994177 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 148 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ethylparaben is an ethyl ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with ethanol, It has a role as an antimicrobial food preservative, an antifungal agent, a plant metabolite and a phytoestrogen. It is a paraben and an ethyl ester.