94-25-7
Product Name:
Butyl 4-aminobenzoate
Formula:
C11H15NO2
Synonyms:
Butamben;Butyl 4-aminobenzoate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | N-butyl-p-aminobenzoate is a yellow powder. Insoluble in water. (NTP, 1992) |
|---|---|
| Color/Form | Crystals from alc |
| Odor | Odorless |
| Taste | Tasteless |
| Boiling Point | 343 to 345 °F at 8 mmHg (NTP, 1992) |
| Melting Point | 136 °F (NTP, 1992) |
| Solubility | Insoluble (NTP, 1992) |
| Vapor Pressure | 0.000299 [mmHg] |
| LogP | 2.87 |
| Decomposition | When heated to decomposition it emits toxic fumes such as niroxides. |
| Dissociation Constants | 2.472 |
| Collision Cross Section | 159.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 1758 1759 |
| Other Experimental Properties | Hydrolyzed slowly when boiled with water |
| Chemical Classes | Other Uses -> Sunscreens |
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 H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 193.24 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 193.110278721 g/mol |
| Monoisotopic Mass | 193.110278721 g/mol |
| Topological Polar Surface Area | 52.3 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 174 |
| 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-aminobenzoate is a yellow powder. Insoluble in water. (NTP, 1992)