4-Acetylbenzoic Acid
Catalog Number
ACM586890
CAS
586-89-0
IUPAC Name
4-acetylbenzoic acid
Synonyms
4'-Acetophenonecarboxylic Acid
Molecular Weight
164.16
Molecular Formula
C9H8O3
Product Information
Canonical SMILES
CC(=O)C1=CC=C(C=C1)C(=O)O
Inchi
InChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)
InChIKey
QBHDSQZASIBAAI-UHFFFAOYSA-N
Boiling Point
339.9 °C at 760 mmHg
Melting Point
210 °C
Purity
97%
Appearance
White to Orange to Green powder to crystal
Complexity
190
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
12
MDL Number
MFCD00002561
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Reaxys Registry Number
2207355
Rotatable Bond Count
2
Signal Word
Warning
Monoisotopic Mass
164.047344g/mol
Exact Mass
164.047344g/mol
Related Products
Please kindly note that our products and services are for research use only.
Have a question? Get a Free Consultation