94-26-8
Product Name:
Butylparaben
Formula:
C11H14O3
Synonyms:
p-Hydroxybenzoic acid n-butyl ester;4-Hydroxybenzoic acid butyl ester;Butyl paraben;SPF
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | N-butyl-p-hydroxybenzoate appears as odorless white crystals or crystalline powder. Tasteless, but numbs the tongue. Aqueous solutions slightly acidic to litmus. (NTP, 1992) |
|---|---|
| Color/Form | Small, colorless crystals or powder |
| Odor | Odorless |
| Boiling Point | 156.00 to 157.00 °C. @ 3.50 mm Hg |
| Melting Point | 154 to 156 °F (NTP, 1992) |
| Flash Point | 181 °C |
| Solubility | less than 1 mg/mL at 63 °F (NTP, 1992) |
| Vapor Pressure | 0.000186 [mmHg] |
| LogP | log Kow = 3.57 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Autoignition Temperature | 495 °C |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Dissociation Constants | pKa = 8.47 |
| Collision Cross Section | 150.14 Ų [M-H]- |
| Kovats Retention Index | 1671 1665 |
| Other Experimental Properties | Very hygroscopic |
| Chemical Classes | Other Uses -> Preservatives |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. 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. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 194.23 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 194.094294304 g/mol |
| Monoisotopic Mass | 194.094294304 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 171 |
| 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
N-butyl-p-hydroxybenzoate appears as odorless white crystals or crystalline powder. Tasteless, but numbs the tongue. Aqueous solutions slightly acidic to litmus. (NTP, 1992)