Nonyl 4-hydroxybenzoate

Base Information

• Chemical Name: Nonyl 4-hydroxybenzoate
• CAS No.: 38713-56-3
• Molecular Formula: C16H24 O3
• Molecular Weight: 264.365
• Hs Code.: 29163990
• European Community (EC) Number: 679-685-9
• DSSTox Substance ID: DTXSID9047885
• Nikkaji Number: J151.231E
• Wikidata: Q81984457
• ChEMBL ID: CHEMBL2271362
• Mol file: 38713-56-3.mol

Synonyms:Nonyl 4-hydroxybenzoate;38713-56-3;Nonylparaben;4-HYDROXYBENZOIC ACID N-NONYL ESTER;Nonyl p-hydroxybenzoate;4-Hydroxybenzoic Acid Nonyl Ester;DTXSID9047885;Benzoic acid, 4-hydroxy-, nonyl ester;Nonyl4-Hydroxybenzoate;Nonyl 4-hydroxybenzoate #;SCHEMBL187991;CHEMBL2271362;DTXCID9027861;p-Hydroxybenzoic acid n-nonyl ester;Tox21_200548;MFCD00016483;NCGC00248693-01;NCGC00258102-01;AS-57964;CAS-38713-56-3;CS-0205265;FT-0757780;H0217;D90819;A853774

Chemical Property of Nonyl 4-hydroxybenzoate

Chemical Property:

• Vapor Pressure: 2.15E-06mmHg at 25°C
• Melting Point: 44°C
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 382.4°Cat760mmHg
• Flash Point: 152°C
• PSA: 46.53000
• Density: 1.025g/cm³
• LogP: 4.29960
• Storage Temp.: 2-8°C
• Water Solubility.: 1.275g/L(25 oC)
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 264.17254462
• Heavy Atom Count: 19
• Complexity: 232

Purity/Quality:

98%,99%, ^*data from raw suppliers

Nonyl 4-Hydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCOC(=O)C1=CC=C(C=C1)O

Technology Process of Nonyl 4-hydroxybenzoate

There total 9 articles about Nonyl 4-hydroxybenzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 82.6%

4-Methoxycarbonyloxy-benzoic acid nonyl ester (134447-10-2) → n-nonyl 4-hydroxybenzoate (38713-56-3)

Guidance literature:

With ammonium hydroxide; In ethanol; for 1h; Ambient temperature;

Reference yield: 82.5%

p-(benzyloxy)benzoic acid (1486-51-7) → n-nonyl 4-hydroxybenzoate (38713-56-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 40 ℃; for 2h; under 2585.7 Torr;

Reference yield: 65.4%

Nonyl 4-benzyloxybenzoate (134447-07-7) → n-nonyl 4-hydroxybenzoate (38713-56-3)

Guidance literature:

With hydrogen; hydrogenation catalyst;

upstream raw materials:

nonyl alcohol

4-hydroxy-benzoic acid

p-(benzyloxy)benzoic acid

4-Methoxycarbonyloxy-benzoic acid nonyl ester

Downstream raw materials:

C₇₈H₈₄O₁₈

Refernces

• 1、 Patel, Chirag K.,Owen, Caroline P.,Ahmed, Sabbir. "Inhibition of estrone sulfatase (ES) by alkyl and cycloalkyl ester derivatives of 4-[(aminosulfonyl)oxy] benzoic acid". . p. 605 - 609. Retrieved 2007/10/03.
• 2、 Owen, Caroline,James, Karen,Sampson, Luther,Ahmed, Sabbir. "Synthesis and biochemical evaluation of some novel benzoic acid based esters as potential inhibitors of oestrone sulphatase". . p. 85 - 93. Retrieved 2007/10/03.