salbutamol free base

Description

salbutamol free base · CAS 18559-94-9 · C13H21NO3. UNII QF8SVZ843E. Melting Point: 147-149; Melting Point: 151 °C (Lunts); 157-158 °C (Collins); Melting Point: 157 - 158 °C.

Identification

CAS Registry Number	18559-94-9
PubChem CID	2083
Molecular formula	C13H21NO3
IUPAC name	4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
UNII (FDA)	QF8SVZ843E

Computed Descriptors

Molecular Weight	239.31
XLogP3	0.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	239.15214353
Monoisotopic Mass	239.15214353
Topological Polar Surface Area	72.7
Heavy Atom Count	17
Formal Charge	0

Physical & Chemical Properties

Melting Point	147-149
Melting Point	151 °C (Lunts); 157-158 °C (Collins)
Melting Point	157 - 158 °C
Solubility	14100
Solubility	2.15e+00 g/L
LogP	1.4
LogP	-0.39
Dissociation Constants	10.3
Collision Cross Section	159.93 Ų [M+H]+
Collision Cross Section	166.6 Ų [M-H]-

Physical description & handling notes

• Solid
• White to off-white crystalline solid
• Crystalline powder from ethanol-ethyl acetate or ethyl acetate-cyclohexane
• Soluble in ethanol, sparingly soluble in water, and very soluble in chlorform.
• Soluble in most organic solvents.
• In water, 1.43X10+4 mg/L, temp not specified

GHS Hazard Classification

Reported hazard statements	H302 (98%), H317 (11.8%)

Documented Uses

• Use (kg; approx.) in Germany (2009): >250
• Consumption (g per capita; approx.) in Germany (2009): 0.00305
• Consumption (g per capita) in the USA (2002): 0.00631
• For symptomatic relief and prevention of bronchospasm due to bronchial asthma, chronic bronchitis, and other chronic bronchopulmonary disorders such as COPD.
• Preparation: LHC Lunts et al, ZA 6705591; US 3644353 (1968, 1972 both to Allen & Hanburys)
• Salbutamol is indicated for (i) the symptomatic relief and prevention of bronchospasm due to bronchial asthma, chronic bronchitis, reversible obstructive airway disease, and other chronic bronchopulmonary disorders in which bronchospasm is a complicating factor, and/or (ii) the acute prophylaxis against exercise-induced bronchospasm and other stimuli known to induce bronchospasm.

Synonyms

Salbutamol; albuterol; 18559-94-9; Ventoline; Aerolin; Proventil HFA; Salbutamolum; Asthalin; Cobutolin; Salbuvent; Asmaven; Salamol; Asmol; 4-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol; Ventilan; Ventodisks

Frequently Asked Questions

What are the CAS number and molecular formula of salbutamol free base?

CAS 18559-94-9; molecular formula C13H21NO3; molecular weight — g/mol.

What other names is salbutamol free base known by?

Salbutamol, albuterol, 18559-94-9, Ventoline, Aerolin, Proventil HFA.

Is salbutamol free base classified as hazardous?

Hazard statements reported: H302, H317.

What are the key physical properties of salbutamol free base?

Melting Point: 147-149; Melting Point: 151 °C (Lunts); 157-158 °C (Collins); Melting Point: 157 - 158 °C; Solubility: 14100.

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.