59901-91-6

Basic information

• Product Name: 1'-HYDROXYSAFROLE,2',3'-OXIDE
• Synonyms: 1'-HYDROXYSAFROLE,2',3'-OXIDE;α-(Oxiranyl)-1,3-benzodioxole-5-methanol;α-Oxiranyl-1,3-benzodioxole-5-methanol
• CAS NO: 59901-91-6
• Molecular Formula: C₁₀H₁₀O₄
• Molecular Weight: 194.20
• Mol File: 59901-91-6.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 250.62°C (rough estimate)
• Flash Point: 165°C
• Appearance: /
• Density: 1.0583 (rough estimate)
• Vapor Pressure: 1.79E-05mmHg at 25°C
• Refractive Index: 1.5030 (estimate)
• CAS DataBase Reference: 1'-HYDROXYSAFROLE,2',3'-OXIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 1'-HYDROXYSAFROLE,2',3'-OXIDE(59901-91-6)
• EPA Substance Registry System: 1'-HYDROXYSAFROLE,2',3'-OXIDE(59901-91-6)

Safety Data

• Hazardous Substances Data: 59901-91-6(Hazardous Substances Data)

Usage

Source

Found in certain plants such as Heliotropium indicum and Crotalaria

Type

Metabolic derivative of safrole, a natural organic compound found in essential oils of various plants

Toxicity

Known to have liver toxic, carcinogenic, and mutagenic effects in animal studies and is considered a potential human carcinogen

Health Risks

Can cause hepatic sinusoidal obstruction syndrome in humans, a serious condition that can lead to liver failure

Regulation

Not used in consumer products and tightly regulated by various health and safety organizations.

InChI:InChI=1/C10H10O4/c11-10(9-4-12-9)6-1-2-7-8(3-6)14-5-13-7/h1-3,9-11H,4-5H2

Upstream product

• 5208-87-7 1'-hydroxysafrole 
• 120-57-0 piperonal 

Downstream Products

• 438581-71-6 1-(3,4-methylenedioxyphenyl)-1-(3-(3,4-dimethoxyphenyl)-2-propenyloxy)-2,3-epoxypropane 
• 28071-34-3 (+/-)-dihydrosesamin 
• 28071-34-3 3-hydroxymethyl-2-(3,4-methylenedioxyphenyl)-4-<(3,4-methylenedioxyphenyl)methyl>tetrahydrofuran 
• 28115-69-7 (+/-)-piperitol methyl ether 
• 133-03-9 2-exo,6-exo-bis(3',4'-methylenedioxyphenyl)-3,7-dioxabicyclo[3.3.0]octane 
• 17581-86-1 3-(benzo[1,3]dioxol-5-yl)prop-2-en-1-ol 
• 59901-90-5 (benzo[d][1,3]dioxol-5-yl)(oxiran-2-yl)methyl acetate 

Relevant articles and documents

Titanocene(III) chloride mediated radical induced addition-elimination route to the synthesis of racemic and optically active trisubstituted tetrahydrofurans: Formal synthesis of magnofargesin and 7’-epimagnofargesin

Titanocene(III) Chloride mediated radical induced synthesis of 4-benzylidene substituted tetrahydrofuran, a typical lignan skeleton, has been accomplished in good yield through addition-elimination route in racemic as well as in optically active forms. The method has been applied to the synthesis of furano lignans, magnofargesin (1) and 7’-epimagnofargesin (2) in optically active forms.

Synthesis of multiply 13C-labeled furofuran lignans using 13C-labeled cinnamyl alcohols as building blocks

Plant lignans are currently being widely studied for their potential benefits for human health as their consumption has been correlated with lower risks for developing chronic diseases, such as breast cancer and coronary heart disease. However, studies of