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Neopentyl glycol

Catalog Number

ACM126307

CAS

126-30-7

Structure

IUPAC Name

2,2-Dimethylpropane-1,3-diol

Synonyms

1,3-Propanediol, 2,2-dimethyl-;2,2-Dimethylpropane-1,3-diol

Molecular Weight

104.15

Molecular Formula

C5H12O2

Canonical SMILES

CC(C)(CO)CO

InChI

SLCVBVWXLSEKPL-UHFFFAOYSA-N

InChI Key

InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3

Boiling Point

208 °C

Melting Point

126-128 °C

Flash Point

107 °C

Density

1.06g/ml

Active Content

95%

Physical State

Solid

Typical Applications

Use as dispersing agent, emulsifying agent.
Use as lubricant.
Use as intermediate in organic synthesis.

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

Case Study

Neopentyl Glycol (NPG) Used for the Depolymerization of Polyethylene Terephthalate (PET) Waste via Solvolysis

Neopentyl Glycol (NPG) Used for the Depolymerization of Polyethylene Terephthalate (PET) Waste via Solvolysis Amundarain, Izotz, et al. Materials Advances (2025).

Neopentyl glycol (NPG) has emerged as an effective depolymerization agent in the solvolysis of complex PET waste, offering a sustainable route for chemical recycling. In this study, a novel glycolysis protocol was developed using NPG and zinc acetate as a catalyst to convert multilayer and textile-based PET waste into the valuable monomer bis(hydroxy neopentyl) terephthalate (BHNT).
The reaction was performed in a 1000 mL three-necked reactor equipped with a mechanical stirrer (250 rpm), thermometer, and reflux condenser. NPG and Zn acetate (1 wt%) were first heated to 200 °C before introducing 100 g of PET waste. A fixed NPG/PET molar ratio of 6:1 was applied, and reaction progress was monitored over 1-4 hours. Reaction optimization trials revealed that 200 °C and a 6:1 molar ratio yielded the highest PET conversion and BHNT output.
Post-reaction, the mixture was hot-filtered (150 °C, 2 bar) to remove unreacted material. The filtrate was then treated with demineralized water (Water/NPG = 2:1) at 90 °C to extract residual oligomers. Final BHNT crystallization occurred at 5 °C, followed by filtration through a 0.7 μm microfiber filter.
A key innovation was the integration of activated carbon purification, which raised BHNT purity from 60 mol% to 95 mol%, enhancing its suitability for resin, coating, and polyurethane dispersion (PUD) synthesis. This process highlights NPG's potential in sustainable PET recycling pathways.

Neopentyl Glycol Used for the Preparation of Stable Radioiodine and Astatine Radiotheranostic Agents

Neopentyl Glycol Used for the Preparation of Stable Radioiodine and Astatine Radiotheranostic Agents Suzuki, Hiroyuki, et al. Journal of Medicinal Chemistry 64.21 (2021): 15846-15857.

Neopentyl glycol (NPG) has demonstrated exceptional promise as a scaffold for developing radiotheranostic systems using radioiodine and astatine, owing to its metabolic stability and resistance to dehalogenation. In this study, three 2-nitroimidazole-based analogs of [¹⁸F]DiFA-bearing either one, two, or no hydroxyl groups-were synthesized and evaluated for their radiolabeling compatibility and in vivo stability.
Among the ¹²⁵I-labeled analogs, the compound containing neopentyl glycol exhibited outstanding resistance to both nucleophilic substitution and cytochrome P450 (CYP)-mediated oxidative metabolism. Importantly, in vivo studies showed that the ¹²⁵I-labeled NPG derivative resisted deiodination, a common challenge in radioiodinated agents.
The analogous ²¹¹At-labeled neopentyl glycol compound mirrored the metabolic robustness of its iodine counterpart, showing negligible degradation via CYP and maintaining astatine conjugation in vivo. Urinalysis confirmed the excretion of the ²¹¹At-labeled compound as a glucuronide conjugate, with no detectable free [²¹¹At]At⁻, further confirming its high in vivo integrity.
Comparative biodistribution studies revealed that the ¹²⁵I and ²¹¹At NPG conjugates shared nearly identical pharmacokinetic profiles, unlike traditional benzoate-based systems, which showed disparity between isotopes. These findings strongly support the use of neopentyl glycol as a stable and metabolically inert linker in dual-isotope radiotheranostic platforms, potentially improving clinical outcomes in nuclear medicine.

Custom Q&A

What is the CAS number for Neopentyl glycol?

The CAS number for Neopentyl glycol is 126-30-7.

What are some synonyms for Neopentyl glycol?

Some synonyms for Neopentyl glycol are 1,3-Propanediol, 2,2-dimethyl- and 2,2-Dimethylpropane-1,3-diol.

What is the IUPAC name for Neopentyl glycol?

The IUPAC name for Neopentyl glycol is 2,2-Dimethylpropane-1,3-diol.

What is the molecular weight of Neopentyl glycol?

The molecular weight of Neopentyl glycol is 104.15.

What is the molecular formula of Neopentyl glycol?

The molecular formula of Neopentyl glycol is C5H12O2.

What is the boiling point of Neopentyl glycol?

The boiling point of Neopentyl glycol is 208 °C.

What is the melting point of Neopentyl glycol?

The melting point of Neopentyl glycol is 126-128 °C.

What is the flash point of Neopentyl glycol?

The flash point of Neopentyl glycol is 107 °C.

What is the density of Neopentyl glycol?

The density of Neopentyl glycol is 1.06g/ml.

What are some typical applications of Neopentyl glycol?

Some typical applications of Neopentyl glycol are use as a dispersing agent, emulsifying agent, lubricant, and intermediate in organic synthesis.

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