3-Acetylbenzoic acid (CAS 586-42-5) — formula C9H8O3, molecular weight 164.16; category organic chemicals.
| CAS Number | 586-42-5 |
|---|---|
| Molecular Formula | C9H8O3 |
| Molecular Weight | 164.16 |
| LogP | 1.56 |
| Category | Organic Chemicals |
3-Acetylbenzoic acid is a carbon-based organic compound with CAS registry number 586-42-5 and molecular formula C9H8O3 (molecular weight 164.16), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 586-42-5
Its molecular formula C9H8O3 comprises 9 C, 8 H, 3 O atoms.
Also known as: 3-Acetylbenzoic acid · 3-乙酰基苯甲酸
Category: organic chemicals
The CAS registry number of 3-Acetylbenzoic acid is 586-42-5.
Molecular formula C9H8O3, molecular weight 164.16.
It is also registered under: 3-Acetylbenzoic acid, 3-乙酰基苯甲酸.
Category: Organic Chemicals.
Independent reference data for 3-Acetylbenzoic acid (CAS 586-42-5), compiled from public chemistry databases.
| CAS Registry Number | 586-42-5 |
|---|---|
| PubChem CID | 220324 |
| Molecular formula | C9H8O3 |
| IUPAC name | 3-acetylbenzoic acid |
| UNII (FDA) | CKS3FFH4GM |
| Molecular Weight | 164.16 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 164.047344113 |
| Monoisotopic Mass | 164.047344113 |
| Topological Polar Surface Area | 54.4 |
| Heavy Atom Count | 12 |
| LogP | 1.56 |
|---|
3-Acetylbenzoic acid; 586-42-5; CHZPJUSFUDUEMZ-UHFFFAOYSA-; DTXSID40277572; RefChem:92822; DTXCID30228730; 629-958-3; InChI=1/C9H8O3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H,11,12); Benzoic acid, 3-acetyl-; m-acetylbenzoic acid; MFCD00045847; 3-(1-Oxoethyl)benzoic acid; 3-Acetophenonecarboxylic Acid; 3'-Acetophenonecarboxylic Acid; NSC-2932; CK2180
| GHS notification summary | 11.1% (1 / 9) |
|---|
| GHS notification summary | 11.1% (1 / 9) |
|---|---|
| Reported hazard statements | H315 (88.9%), H319 (88.9%), H335 (77.8%) |
This chemical does not meet GHS hazard criteria for 11.1% (1 of 9) of reports.
H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation]
3-Acetylbenzoic acid · CAS 586-42-5 · C9H8O3. UNII CKS3FFH4GM. LogP: 1.56.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-乙酰基苯甲酸