50-78-2
Product Name:
Acetylsalicylic acid
Formula:
C9H8O4
Synonyms:
O-Acetylsalicylic acid;2-Acetoxybenzoic acid;Acetylsalicylic acid;ASA;Aspirin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Acetylsalicylic acid appears as odorless white crystals or crystalline powder with a slightly bitter taste. (NTP, 1992) |
|---|---|
| Color/Form | Monoclinic tablets or needle-like crystals |
| Odor | Odorless, but in moist air it is gradually hydrolyzed and acquires odor of acetic acid |
| Boiling Point | 284 °F at 760 mmHg (decomposes) (NTP, 1992) |
| Melting Point | 275 °F (NTP, 1992) |
| Flash Point | 482 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| Density | 1.4 (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0 mmHg (approx) (NIOSH, 2023) |
| LogP | 1.18 |
| Stability/Shelf Life | STABLE IN DRY AIR; IN MOIST AIR IT IS GRADUALLY HYDROLYZED INTO SALICYLIC AND ACETIC ACIDS |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Dissociation Constants | 3.47 |
| Collision Cross Section | 146.8 Ų [M+Na]+ [CCS Type: DT, Method: stepped-field] |
| Kovats Retention Index | 1270 1315 1309 1309 |
| Other Experimental Properties | ... solidifies at 118 °C |
| Chemical Classes | Other Uses -> Pharmaceuticals |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 180.16 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 180.04225873 g/mol |
| Monoisotopic Mass | 180.04225873 g/mol |
| Topological Polar Surface Area | 63.6 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 212 |
| 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
Acetylsalicylic acid,also called aspirin, is a salicylate used to treat pain, fever, inflammation, migraines, and reducing the risk of major adverse cardiovascular events. It works by blocking the production of compounds in the body that cause pain, swelling, and fever. Acetylsalicylic acid also serves a vital function in preventing blood clots from forming in the arteries. In research, acetylsalicylic acid is studied for its role in oxidative stress, and in cancer research as a biomarker.