benzonatate

Description

benzonatate · CAS 104-31-4 · C30H53NO11. UNII 5P4DHS6ENR. Solubility: 1.59e-03 g/L; LogP: 2.45; LogP: log Kow = 2.45.

Identification

CAS Registry Number	104-31-4
PubChem CID	7699
Molecular formula	C30H53NO11
IUPAC name	2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
UNII (FDA)	5P4DHS6ENR

Computed Descriptors

Molecular Weight	603.7
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	33
Exact Mass	603.36186151
Monoisotopic Mass	603.36186151
Topological Polar Surface Area	121
Heavy Atom Count	42
Formal Charge	0

Physical & Chemical Properties

Solubility	1.59e-03 g/L
LogP	2.45
LogP	log Kow = 2.45
LogP	1.2

Physical description & handling notes

• Liquid
• Colorless to faintly yellow oil
• Soluble in most organic solvents except aliphatic hydrocarbons
• Table: Benzonatate Preparations [Table#7770]

GHS Hazard Classification

Reported hazard statements	H302 (50%), H315 (50%), H319 (50%), H335 (50%), H412 (50%)

Documented Uses

• Consumption (g per capita) in the USA (2002): 0.0376
• Ethyl p-(butylamino)benzoate is transesterified with a polyethylene glycol monomethyl ether fraction in a methanol solution of sodium methoxide. The crude ester is purified by extracting its benzene solution with sodium carbonate solution, the ester being retained in the benzene.
• Benzonatate is indicated for the symptomatic relief of cough.
• Breast Feeding; Lactation; Milk, Human; Antitussive Agents
• Tessalon is indicated for the symptomatic relief of cough. /Included in US product label/
• Accidental ingestion of Tessalon resulting in death has been reported in children below age 10. Signs and symptoms of overdose have been reported within 15-20 minutes and death has been reported within one hour of ingestion. If accidental ingestion occurs, seek medical attention immediately

Synonyms

Benzonatate; 104-31-4; Benzononatine; Tessalon; Benzonatatum; Benzonatato; Tessalon Perles; Zonatuss; 2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl 4-(butylamino)benzoate; DTXSID9022655; 2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)benzoate; nonaethyleneglycol monomethyl ether p-n-butylaminobenzoate; NSC-760128; 4-(butylamino)benzoic acid 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester; Benzoic acid, 4-(butylamino)-, 2,5,8,11,14,17,20,23,26-nonaoxaoctacos-28-yl ester; CHEBI:3032

Frequently Asked Questions

What are the CAS number and molecular formula of benzonatate?

CAS 104-31-4; molecular formula C30H53NO11; molecular weight — g/mol.

What other names is benzonatate known by?

Benzonatate, 104-31-4, Benzononatine, Tessalon, Benzonatatum, Benzonatato.

Is benzonatate classified as hazardous?

Hazard statements reported: H302, H315, H319, H335, H412.

What are the key physical properties of benzonatate?

Solubility: 1.59e-03 g/L; LogP: 2.45; LogP: log Kow = 2.45; LogP: 1.2.

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.