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) |
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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 |
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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 |
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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 (ASA) known as Aspirin, is a commonly used drug for the treatment of pain and fever due to various causes. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, a platelet aggregation inhibitor, an antipyretic, a cyclooxygenase 2 inhibitor, a cyclooxygenase 1 inhibitor, a prostaglandin antagonist, a teratogenic agent, an anticoagulant, a plant activator, an EC 1.1.1.188 (prostaglandin-F synthase) inhibitor, a drug allergen and a geroprotector.