Neopentyl Glycol - Materials / Alfa Chemistry

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Neopentyl Glycol

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Catalog Number

ACMA00017044

Product Name

Neopentyl Glycol

Category

Polymers; Chemical Resins

Description

2,2-dimethylpropane-1,3-diol is a white crystalline solid. Melting point 130°C.;Liquid; OtherSolid; PelletsLargeCrystals; PelletsLargeCrystals, Liquid; PelletsLargeCrystals, WetSolid, OtherSolid;COLOURLESS-TO-WHITE HYGROSCOPIC CRYSTALS.

IUPAC Name

2,2-dimethylpropane-1,3-diol

Molecular Weight

104.15g/mol

Molecular Formula

C5H12O2;(CH3)2C(CH₂OH)2;C5H12O2;C5H12O2

Canonical SMILES

CC(C)(CO)CO

InChI

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

InChI Key

SLCVBVWXLSEKPL-UHFFFAOYSA-N

Boiling Point

406.4 °F at 760 mm Hg (USCG, 1999);208.0 °C;207 °C;210 °C

Melting Point

260.6 °F (USCG, 1999);130.0 °C;129.3 °C;127 °C

Flash Point

225 °F (USCG, 1999);265 °F (129 °C) (open cup);107 °C

Density

1.1 g/cu cm;1.1 g/cm³;Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.0

Solubility

In water, 2.0X10+4 mg/L at 25 °C (est);In water, 83 g/100 mL at 20 °C;Solubility in water approximately 65% wet weight;Soluble in water;Freely soluble in alcohol, ether;Soluble in benzene, chloroform; very soluble in ethanol, ethyl ether;Solubility in water, g/100ml at 20 °C: 83

Application

Neopentyl Glycol serves as a versatile chemical intermediate critical to the synthesis of various industrial products. It is predominantly utilized in the production of polyesters, paints, lubricants, and plasticizers, where it enhances thermal, light, and water stability. In polyesters, Neopentyl Glycol contributes significantly to the stability and durability of the final product. Its involvement in esterification with fatty or carboxylic acids leads to synthetic lubricants with superior resistance to oxidation and hydrolysis, compared to natural esters. In the realm of coatings, particularly powder coatings, it ensures minimal variation between the glass transition temperature and melting point, making it ideal for applications in metal, appliance, automotive, and machinery coatings. Additionally, Neopentyl Glycol is pivotal in the formulation of synthetic lubricant oils, greases, metalworking fluids, and lubricants for aircraft engines, and it finds utility in textiles, pharmaceuticals, pesticides, and petrochemicals. Available in flake, molten, and slurry forms, high-quality Neopentyl Glycol is a crucial component in polyester resins for industrial coatings and fiberglass-reinforced plastics. It is often the sole glycol in polyester resin formulations or is paired with a modifying glycol to achieve specific properties, including its role in polyester polyols for polyurethane coatings across automotive, industrial maintenance, transportation, and aerospace sectors.

Color/Form

Needles from benzene;Crystalline solid

Complexity

Covalently-Bonded Unit Count

EC Number

204-781-0

Exact Mass

104.08373g/mol

Formal Charge

Heavy Atom Count

ICSC Number

0305

Log P

log Kow = 0.12;-0.84

MeSH Entry Terms

2,2-dimethyl-1,3-propanediol

Monoisotopic Mass

104.08373g/mol

NSC Number

55836;6366

Odor

Sweetish

Other Experimental

Enthalpy of vaporization: 79.4 kJ/mol at 415 K;Henry's Law constant = 3.06X10-7 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 8.66X10-12 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

RTECS Number

TY5775000

Stability

Stable under recommended storage conditions.

UNII

QI80HXD6S5

UN Number

2811

Vapor Density

3.6 (Air =1);Relative vapor density (air = 1): 3.6

Vapor Pressure