PubChem API - Chemical Information
Chemical Information - Aspirin
Aspirin
2-acetoxybenzoic acid
- Molecular Formula:C9H8O4
- Molecular Weight:180.16 g/mol
Synonyms and Alternative Names
aspirin
ACETYLSALICYLIC ACID
50-78-2
2-Acetoxybenzoic acid
2-(Acetyloxy)benzoic acid
Acylpyrin
O-Acetylsalicylic acid
o-Acetoxybenzoic acid
Acenterine
Acetophen
Chemical and Physical Properties
Molecular Properties
- Complexity:212
- Formal Charge:0
- Heavy Atom Count:13
- Exact Mass:180.04225873 g/mol
Physicochemical Properties
- Topological Polar Surface Area:63.6 Ų
- XLogP (Partition Coefficient):1.2
- Hydrogen Bond Donors:1
- Hydrogen Bond Acceptors:4
- Rotatable Bonds:3
Safety and Hazard Information
First Aid Measures
- Fresh air, rest. Refer for medical attention.
- Rinse skin with plenty of water or shower. Refer for medical attention .
- First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Fire Fighting
- Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)
- Use water spray, powder, foam, carbon dioxide.
Regulatory Information
- Chemical: Benzoic acid, 2-(acetyloxy)-
- Hazard Traits - Developmental Toxicity; Reproductive Toxicity
- Status: Active Update: 02-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10841
Other Safety Information
- IMAP assessments - Benzoic acid, 2-(acetyloxy)-: Environment tier I assessment
Additional Information & Usage
Medical Information
No specific medical information available in PubChem safety data.
Manufacturing Info
Acetylsalicylic acid is prepared by reacting acetic anhydride with salicylic acid at a temperature of <90 °C either in a solvent (e.g., acetic acid or aromatic, acyclic, or chlorinated hydrocarbons) or by the addition of catalysts such as acids or tertiary amines.