99-76-3
Product Name:
Methylparaben
Formula:
C8H8O3
Synonyms:
Methyl paraben;Methyl 4-hydroxybenzoate;NIPAGIN;p-Hydroxybenzoic acid methyl ester;Methylis parahydroxybenzoas
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dry Powder |
|---|---|
| Color/Form | White needles |
| Odor | Odorless or has faint characteristic odor |
| Taste | Slight burning taste |
| Boiling Point | 270.5 °C (decomposes) |
| Melting Point | ofp-hydroxybenzoic acid derived from the sample is 213 °C to 217 °C after drying for two hours at 80 °C |
| Solubility | In water, 2.50X10+3 mg/L at 25 °C |
| Vapor Pressure | 0.000237 [mmHg] |
| LogP | log Kow = 1.96 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomp it emits acrid smoke and fumes. |
| Ionization Efficiency | Positive |
| Collision Cross Section | 128.43 Ų [M-H]- 126.1 Ų [M+H]+ |
| Kovats Retention Index | 1435 1419 1410 1420 1419 1435 1419 |
| Other Experimental Properties | When heated to decomposition, emits acrid smoke and fumes |
| Chemical Classes | Other Uses -> Preservatives |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Environment GHS09 |
| GHS Hazard Statements |
H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P391:Collect spillage. Hazardous to the aquatic environment P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 152.15 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 152.047344113 g/mol |
| Monoisotopic Mass | 152.047344113 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 136 |
| 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
Methylparaben is a 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is a gentle, non-sensitizing & highly effective preservative. It occurs naturally in several fruits, particularly in blueberries. It has a role as a plant metabolite, an antimicrobial food preservative, a neuroprotective agent and an antifungal agent.
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