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

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