113903-96-1

Basic information

• Product Name: 15-hydroperoxyabietic acid
• Synonyms: 15-hydroperoxyabietic acid
• CAS NO: 113903-96-1
• Molecular Formula: C20H30 O4
• Molecular Weight: 334.45
• Mol File: 113903-96-1.mol

Chemical Properties

• Boiling Point: 461.3°Cat760mmHg
• Flash Point: 156.9°C
• Appearance: /
• Density: 1.12g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.558
• CAS DataBase Reference: 15-hydroperoxyabietic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 15-hydroperoxyabietic acid(113903-96-1)
• EPA Substance Registry System: 15-hydroperoxyabietic acid(113903-96-1)

Safety Data

• Hazardous Substances Data: 113903-96-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C20H30O4/c1-18(2,24-23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h6,12,15-16,23H,5,7-11H2,1-4H3,(H,21,22)/t15-,16+,19+,20+/m0/s1

Upstream product

• 101821-23-2 15-hydroxyabietic acid 
• 20085-81-8 13-Oxopodocarp-8⁽¹⁴⁾-en-18-saeure-methylester 
• 19402-34-7 methyl abieta-8,13⁽¹⁵⁾-dien-18-oate 
• 5708-85-0 13-oxo-13-deisopropyl-abiet-8⁽¹⁴⁾en-15-oic acid 
• 105405-29-6 methyl 13-oxo-podocarp-8-en-18-oate 
• 388120-49-8 7-bromo-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydro-phenanthrene-1-carboxylic acid 
• 388120-50-1 C₂₁H₃₂O₃ 

Downstream Products

• 1039118-68-7 13β,15-epoxy-14α-hydroxy-abiet-7-en-19-oic acid 
• 1039118-56-3 7α-(1',1',3',3'-tetramethyl-1',3'-dihydroisoindol-2'-yloxy)-13-oxo-13-deisopropyl-abiet-8(14)-en-15-oic acid 
• 1039118-77-8 7α-(1',1',3',3'-tetramethyl-1',3'-dihydroisoindol-2'-yloxy)-13β,15-dihydroxy-abiet-8(14)-en-19-oic acid 
• 5708-85-0 13-oxo-13-deisopropyl-abiet-8⁽¹⁴⁾en-15-oic acid 
• 101821-23-2 15-hydroxyabietic acid 

Related news

Identification of radical species derived from allergenic 15-hydroperoxyabietic acid (cas 113903-96-1) and insights into the behaviour of cyclic tertiary allylic hydroperoxides in Fe(II)/Fe(III) systems08/25/2019

To understand the skin sensitization mechanism of 15-hydroperoxyabietic acid, the major allergen in colophony, we first examined the formation of potential reactive radicals derived from its reaction with light, heat and TPP-Fe3+. Trapping with 1,1,3,3-tetramethylisoindolin-2-yloxyl nitroxide co...detailed

Relevant articles and documents

Conversion of a cyclic α,β-unsaturated ketone into a tertiary dienyl hydroperoxide: Application to the first hemisynthesis of 15-hydroperoxyabietic acid

The first hemisynthesis of 15-hydroperoxyabietic acid, a major contact allergen among the oxidation products of colophony, is reported. The key step includes a new approach to easily obtain a dienyl tertiary hydroperoxide from a cyclic α,β-unsaturated ketone. The procedure is based on the formation of a bromodiene using a Vilsmeier's reagent, followed by a halogen/metal exchange and alkylation with acetone, to afford the dienyl alcohol precursor of the hydroperoxide.