21398-43-6

Basic information

• Product Name: 1,3-Propanediol
• Synonyms: 2-Deoxy-2-hexylglycerol;2-Hexyl-1,3-propanediol;Bis(hydroxymethyl)heptane;Dimethylolheptane;NSC 108722
• CAS NO: 21398-43-6
• Molecular Formula: C₉H₂₀O₂
• Molecular Weight: 76.09442
• Mol File: 21398-43-6.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 270℃
• Flash Point: 123℃
• Appearance: /
• Density: 0.929
• Vapor Pressure: 0.000949mmHg at 25°C
• Refractive Index: 1.454
• CAS DataBase Reference: 1,3-Propanediol(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Propanediol(21398-43-6)
• EPA Substance Registry System: 1,3-Propanediol(21398-43-6)

Safety Data

• Hazardous Substances Data: 21398-43-6(Hazardous Substances Data)

Usage

General Description

1,3-Propanediol is a chemical compound with the formula C3H8O2. It is a colorless, odorless, and slightly viscous liquid that is used as a solvent, antifreeze, and in the production of polymers. It is derived from renewable resources such as corn sugar, and as a result, it is considered a more sustainable alternative to traditional petroleum-based glycols. 1,3-Propanediol is known for its low toxicity and biodegradability, making it a popular choice in a variety of applications including cosmetics, personal care products, and food additives. Additionally, it has potential applications in the production of plastics and other materials, as well as in the pharmaceutical and medical industries.

InChI:InChI=1/C9H20O2/c1-2-3-4-5-6-9(7-10)8-11/h9-11H,2-8H2,1H3

Upstream product

• 5398-10-7 diethyl 2-hexylmalonate 
• 122459-92-1 Hexylmalonsaeure-dimethylester 
• 111-25-1 1-bromo-hexane 

Downstream Products

• 74813-24-4 5-Hexyl-2-(4-hexyl-phenyl)-[1,3]dioxane 
• 81220-93-1 5-Hexyl-2-(4-hexyl-phenyl)-[1,3]dioxane 
• 74800-68-3 5-Hexyl-2-(4-hexyloxy-phenyl)-[1,3]dioxane 
• 81221-15-0 5-Hexyl-2-(4-hexyloxy-phenyl)-[1,3]dioxane 
• 75552-41-9 2-(4-Heptyloxy-phenyl)-5-hexyl-[1,3]dioxane 
• 81221-16-1 2-(4-Heptyloxy-phenyl)-5-hexyl-[1,3]dioxane 
• 90863-29-9 5-Hexyl-2-(4-octyloxy-phenyl)-[1,3]dioxane 
• 81221-17-2 5-Hexyl-2-(4-octyloxy-phenyl)-[1,3]dioxane 
• 74800-65-0 5-Hexyl-2-(4-propyl-phenyl)-[1,3]dioxane 
• 81220-91-9 5-Hexyl-2-(4-propyl-phenyl)-[1,3]dioxane 
• 74800-63-8 2-(4-Butyl-phenyl)-5-hexyl-[1,3]dioxane 
• 81220-92-0 2-(4-Butyl-phenyl)-5-hexyl-[1,3]dioxane 
• 74800-70-7 5-Hexyl-2-(4-nonyloxy-phenyl)-[1,3]dioxane 
• 81221-18-3 5-Hexyl-2-(4-nonyloxy-phenyl)-[1,3]dioxane 

Relevant articles and documents

Structure-property relations of regiosymmetrical 3,4-dioxy-functionalized polythiophenes

We present the synthesis and characterization of novel homo- and copolymers containing mono- and dialkylated 3,4-propylenedioxythiophenes with the purpose of creating new π-conjugated polymers to be exploited in the field of polymer electronics and photonics. We show that the large seven-membered dioxepine ring attached to the thiophene moiety causes unfavorable steric interactions, especially in the homopolymers; it thus prevents the polymers from adapting a coplanar structure with a short π-stacking distance in the solid state. We furthermore show that incorporation of less space filling units in the form of unsubstituted thiophene units into the polymer chain reduces these unfavorable interactions and therefore allows for a more coplanar polymer backbone orientation and a shorter π-stacking distance in the solid state. These findings are based on absorption spectroscopy, electrochemical measurements, X-ray powder diffraction, and conductivity measurements.

Synthesis of 3-alkyl(aryl)thietanes

A preparative procedure for the synthesis of thietanes bearing alkyl substituents in the β-position was developed. Using this procedure, 3-substituted thietanes can be obtained in four steps with an ultimate yield of > 50%. 3-R-thietanes (where R = CH3, C4H9, C5H11, C6H13, C6H 5) and the corresponding sulfoxides and sulfones were synthesized and examined. The feasibility of preparation of gem-3,3-substituted thietanes was exemplified by the synthesis of 3,3-dihexylthietane.

The synthesis and electro-optic properties of liquid crystalline 2- (2,3-difluorobiphenyl-4'-yl)-1,3-dioxanes

Fifty-six novel alkyl and/or alkoxy disubstituted 2-(2,3- difluorobiphenyl-4'-yl)-1,3-dioxanes (DFBPD) were prepared. Smectic C and nematic mesophases were exhibited by most of the alkyl-alkoxy homologues. Conversely, most of the dialkyl compounds exhibited smectic C, smectic A and nematic phases. The birefringence (Δn), dielectric anisotropy (Δε), spontaneous polarisation and response times of two ferroelectric mixtures formulated from the dioxanyl systems were determined. The birefringence results were compared with eight other groups of mixtures where the materials were based on different core systems. The overall electro-optic properties of the DFBPDs were found to be comparable to the best of the eight most commonly used materials in ferroelectric display devices.