94-13-3
Product Name:
Propylparaben
Formula:
C10H12O3
Synonyms:
4-Hydroxybenzoic acid propyl ester;Propyl 4-hydroxybenzoate;Propyl paraben;Propylis parahydroxybenzoas;Propylparaben
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Propyl-4-hydroxybenzoate appears as colorless crystals or white powder or chunky white solid. Melting point 95-98 °C. Odorless or faint aromatic odor. Low toxicity, Tasteless (numbs the tongue). pH: 6.5-7.0 (slightly acidic) in solution. |
|---|---|
| Color/Form | White crystals |
| Odor | Odorless or has faint odor |
| Boiling Point | 271 °F at 1 mmHg (NTP, 1992) |
| Melting Point | 203 to 208 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 54 °F (NTP, 1992) |
| Density | 1.28 at 77 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0.000555 [mmHg] |
| LogP | log Kow = 3.04 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Ionization Efficiency | Positive |
| Refractive Index | Index of refraction: 1.5050 at 102 °C/D |
| Collision Cross Section | 142.48 Ų [M-H]- |
| Kovats Retention Index | 1567 1567 1567 1620 1580.7 |
| Other Experimental Properties | Dielectric constant: 16.3 |
| Chemical Classes | Other Uses -> Preservatives |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P272:Contaminated work clothing should not be allowed out of the workplace. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 180.20 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 180.078644241 g/mol |
| Monoisotopic Mass | 180.078644241 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 160 |
| 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
Propyl-4-hydroxybenzoate is a white crystalline solid, often found as a powder or in chunky form, with a melting point ranging from 95 to 98 °C. It is odorless or possesses a faint aromatic smell, is tasteless but produces a numbing sensation on the tongue, and has low toxicity. In solution, it exhibits slightly acidic properties with a pH between 6.5 and 7.0.