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 appears as odorless white crystals or crystalline powder with a slightly bitter taste. (NTP, 1992)