17696-61-6 | 4-Hydroxybenzoic acid sec-butyl ester

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$33.00	$23.00
5g	95%	in stock	$73.00	$51.00
25g	95%	in stock	$110.00	$77.00
100g	95%	in stock	$343.00	$240.00
500g	95%	in stock	$964.00	$675.00

Description

• Catalog Number: AA99598
• Chemical Name: 4-Hydroxybenzoic acid sec-butyl ester
• CAS Number: 17696-61-6
• Molecular Formula: C11H14O3
• Molecular Weight: 194.2271
• MDL Number: MFCD00059626
• SMILES: CCC(OC(=O)c1ccc(cc1)O)C

Computed Properties

• Complexity: 183
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 4
• Undefined Atom Stereocenter Count: 1
• XLogP3: 2.7

Literature

• Simultaneous determination of preservatives in beverages, vinegar, aqueous sauces, and quasi-drug drinks by stir-bar sorptive extraction (SBSE) and thermal desorption GC-MS.

  Analytical and bioanalytical chemistry 20020501