8.07481

1,3-Propanediol

for synthesis

• Synonym(s): 1,3-Propanediol, Trimethylene glycol, 1,3-Propylene glycol
• Linear Formula: HO(CH₂)₃OH
• CAS Number: 504-63-2
• Molecular Weight: 76.09
• MDL number: MFCD00002949
• UNSPSC Code: 12352104
• EC Index Number: 207-997-3
• NACRES: NA.22

Properties

• vapor pressure: <0.1 hPa ( 20 °C)
• Quality Level: 200
• Assay: ≥98.0% (GC)
• form: liquid
• autoignition temp.: 405 °C
• potency: 15670 mg/kg LD₅₀, oral (Rat); >20000 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 2.5 % (v/v)
• pH: 4.5-7.0 (20 °C, 100 g/L in H₂O)
• bp: 213-215 °C/1013 hPa
• mp: -32 °C
• solubility: 100 g/L
• density: 1.05 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: OCCCO
• InChI: 1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
• InChI key: YPFDHNVEDLHUCE-UHFFFAOYSA-N

Description

Application

• Biopolymer synthesis: Illustrated by the extractive adsorption study of Sui et al., where 1,3-Propanediol was effectively isolated using novel resin technologies. This application is crucial for the sustainable production of biopolymers, impacting sectors from industrial manufacturing to biotechnology (Sui WB et al., 2023).


• Hydrogenation processes in chemical synthesis: Examined by Zhang et al. in the development of bimetallic catalysts for the efficient hydrogenation of diethyl malonate to 1,3-Propanediol. This research is relevant for chemists and researchers looking to optimize reaction processes for producing high-value chemicals in a sustainable manner (Zhang J et al., 2024).


• Enhancement of microbial production systems: Explored by Jiang et al., where the inactivation of specific metabolic pathways in Klebsiella pneumoniae led to enhanced production of 1,3-Propanediol. This is crucial for the biotechnological production of this compound, offering insights for principle investigators and researchers focused on metabolic engineering and industrial biotechnology (Jiang W et al., 2024).

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.051 - 1.053
Identity (IR): passes test

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 1
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable