苯乙酸钠

Description

sodium phenylacetate · CAS 114-70-5 · C8H7NaO2. UNII 48N6U1781G.

Identification

CAS Registry Number	114-70-5
PubChem CID	23690424
Molecular formula	C8H7NaO2
IUPAC name	sodium 2-phenylacetate
UNII (FDA)	48N6U1781G

Computed Descriptors

Molecular Weight	158.13
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	158.03437374
Monoisotopic Mass	158.03437374
Topological Polar Surface Area	40.1
Heavy Atom Count	11
Formal Charge	0
Complexity	119

Physical description & handling notes

• Aqueous solution: Pale yellow liquid; [HSDB] Powder; [MSDSonline]
• Aqueous solution is pale yellow
• Soluble in water
• Insoluble in alcohol, ether and ketones
• When heated to decomposition it emits acrid smoke and irritating vapors.
• 50% aqueous solution has pH 7.0-8.5

GHS Hazard Classification

Reported hazard statements	H318 (100%)

Documented Uses

• Used as an intermediate for penicillin g and certain fungicides; Also used in the treatment of acute hyperammonemia and associated encephalopathy in patients with deficiencies in enzymes of the urea cycle (with sodium benzoate); [HSDB]
• Antimetabolites, Antineoplastic
• Precursor in production of penicillin G; intermediate for producing heavy metal salts which act as fungicides.
• Used with sodium benzoate for the treatment of acute hyperammonemia and associated encephalopathy in patients with deficiencies in enzymes of the urea cycle.
• Benzeneacetic acid, sodium salt (1:1): ACTIVE
• Sodium phenylacetate and sodium benzoate injection is indicated as adjunctive therapy in pediatric and adult patients for the treatment of acute hyperammonemia and associated encephalopathy in patients with deficiencies in enzymes of the urea cycle. During acute hyperammonemic episodes, arginine supplementation, caloric supplementation, dietary protein restriction, hemodialysis, and other ammonia lowering therapies should be considered.

Synonyms

sodium phenylacetate; 114-70-5; Phenylacetic acid sodium salt; Sodium benzeneacetate; Sodium phenylacetate [USAN]; Phenylacetate sodium salt; Benzeneacetic acid, sodium salt; Sodium phenylacetic acid; HSDB 5581; Acetic acid, phenyl-, sodium salt; NSC 3039; EINECS 204-052-7; Phenylessigsaure natrium-salz; Phenylessigsaure natrium-salz [German]; NSC-3039; 48N6U1781G

Frequently Asked Questions

What are the CAS number and molecular formula of sodium phenylacetate?

CAS 114-70-5; molecular formula C8H7NaO2; molecular weight — g/mol.

What other names is sodium phenylacetate known by?

sodium phenylacetate, 114-70-5, Phenylacetic acid sodium salt, Sodium benzeneacetate, Sodium phenylacetate [USAN], Phenylacetate sodium salt.

Is sodium phenylacetate classified as hazardous?

Hazard statements reported: H318.

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.