91237-23-9

Basic information

• Product Name: 1,3-Dioxolane-4-carboxaldehyde, 2,2,5-trimethyl-, trans- (9CI)
• Synonyms: 1,3-Dioxolane-4-carboxaldehyde, 2,2,5-trimethyl-, trans- (9CI)
• CAS NO: 91237-23-9
• Molecular Formula: C7H12O3
• Molecular Weight: 144.16838
• Product Categories: ALDEHYDE
• Mol File: 91237-23-9.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1,3-Dioxolane-4-carboxaldehyde, 2,2,5-trimethyl-, trans- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Dioxolane-4-carboxaldehyde, 2,2,5-trimethyl-, trans- (9CI)(91237-23-9)
• EPA Substance Registry System: 1,3-Dioxolane-4-carboxaldehyde, 2,2,5-trimethyl-, trans- (9CI)(91237-23-9)

Safety Data

• Hazardous Substances Data: 91237-23-9(Hazardous Substances Data)

Usage

Structure

Cyclic aliphatic aldehyde with a dioxolane ring and a carboxaldehyde group

Isomer

trans(9CI)

Physical state

Colorless liquid

Odor

Strong, pungent

Uses

Intermediate in the production of pharmaceuticals, agrochemicals, and other organic compounds; flavoring agent; fragrance industry

Safety precautions

Causes irritation to skin, eyes, and respiratory system; handle with care; use in well-ventilated areas

Upstream product

• 96613-68-2 (2S*,3R*)-methyl 2,3-dihydroxybutanoate 
• 36183-27-4 cis-2,2,5-Trimethyl-1,3-dioxolan-4-carbonsaeure-methylester 

Relevant articles and documents

Molecular and Crystal Structure of Hyptolide, a Naturally Occurring α,β-Unsaturated δ-Lactone

Hyptolide, a six-membered, α,β-unsaturated C12 lactone, has been reisolated from Hyptis pectinata Poit.Detailed 1H and 13C NMR spectroscopic studies and a crystal structure determination on the basis of single-crystal X-ray diffraction data collected at 293 K provide evidence for the detailed structure and relative configuration of hyptolide.The crystal structure has been determined from 2261 most significant X-ray intensities and refined to an R factor of 0.065.The space group is P21 and the cell parameters are a = 7.629(2), b = 24.639(3), c = 10.468(2) Angstroem and β = 90.64(2) deg.The absolute configuration is established by synthesis of 10(S),11(R)-dihydroxydodecanoic acid, the enantiomer of an acid previously produced by exhaustive hydrogenation of hyptolide.On the basis of the combined evidence, supported by chiroptical data, hyptolide can now be formulated as 6R-(1Z,3S,5R,6S)-5,6-dihydro-6--2H-pyran-2-one.Its relation to other C12-lactones of natural origin is briefly discussed.