3-乙酰基苯甲酸

Description

3-Acetylbenzoic acid · CAS 586-42-5 · C9H8O3. UNII CKS3FFH4GM. LogP: 1.56.

Identification

CAS Registry Number	586-42-5
PubChem CID	220324
Molecular formula	C9H8O3
IUPAC name	3-acetylbenzoic acid
UNII (FDA)	CKS3FFH4GM

Computed Descriptors

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
Formal Charge	0

Physical & Chemical Properties

LogP	1.56

Regulatory Status

GHS notification summary	11.1% (1 / 9)

GHS Hazard Classification

GHS notification summary	11.1% (1 / 9)
Reported hazard statements	H315 (88.9%), H319 (88.9%), H335 (77.8%)

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of 3-Acetylbenzoic acid?

CAS 586-42-5; molecular formula C9H8O3; molecular weight — g/mol.

What other names is 3-Acetylbenzoic acid known by?

3-Acetylbenzoic acid, 586-42-5, CHZPJUSFUDUEMZ-UHFFFAOYSA-, DTXSID40277572, RefChem:92822, DTXCID30228730.

Is 3-Acetylbenzoic acid classified as hazardous?

11.1% of GHS notifications report no hazard classification (1 of 9).

What are the key physical properties of 3-Acetylbenzoic acid?

LogP: 1.56.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.