Trimethylene glycol (C3H8O2)

Trimethylene glycol (C3H8O2; CAS 504-63-2) is a practical retrosynthesis target. Trimethylene glycol presents a C3 framework, alcohol functionality. Open AI route search in one click below.

Target: Trimethylene glycol
CAS: 504-63-2
Formula: C3H8O2
Approx. MW: 76.10
SMILES: OCCCO
PubChem CID: 10442
Approx. carbons: C3

Trimethylene glycol structure

Properties

IUPAC name: propane-1,3-diol
Common names: 1,3-PROPANEDIOL; Propane-1,3-diol; 504-63-2; Trimethylene glycol; 1,3-Dihydroxypropane; 1,3-Propylene glycol; 2-Deoxyglycerol; 1,3-Propylenediol; beta-Propylene glycol; 2-(Hydroxymethyl)ethanol
Molecular weight: 76.09
Exact mass: 76.05
InChIKey: YPFDHNVEDLHUCE-UHFFFAOYSA-N
Boiling point: 210-212 °C
Density: 1.0597 at 20 °C/4 °C

View on PubChem

Trimethylene glycol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Trimethylene glycol?

Trimethylene glycol has molecular formula C3H8O2. Molecular weight about 76.10 g·mol⁻¹.

What is the CAS number of Trimethylene glycol?

The CAS Registry Number for Trimethylene glycol is 504-63-2.

Run AI retrosynthesis for Trimethylene glycol Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C3H8O2.

Related targets

Similar compounds

2-Methoxyethanol Propylene Glycol 1-Aminopropan-2-ol 1-Chloro-2-propanol 1-Propanol 2-(Methylamino)ethanol

Browse the full target catalog

References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.