Reported in EPA TSCA Inventory.

The 2-Nitro-2-Methyl-1,3-Propanediol with CAS registry number of 77-49-6 is also called 1,3-Propanediol,2-methyl-2-nitro-. The IUPAC name is 2-methyl-2-nitropropane-1,3-diol. Its EINECS registry number is 201-031-4. In addition, the molecular formula is C₄H₉NO₄ and the molecular weight is 135.12. It is a kind of white to yellowish crystals.

Physical properties about this chemical are: (1)ACD/LogP: 0.14 ; (2)ACD/LogD (pH 5.5): 0.14; (3)ACD/LogD (pH 7.4): 0.14; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 28.42; (7)ACD/KOC (pH 7.4): 28.42; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 64.28 Å²; (12)Index of Refraction: 1.49; (13)Molar Refractivity: 29.63 cm³; (14)Molar Volume: 102.4 cm³; (15)Polarizability: 11.74 ×10^-24cm³; (16)Surface Tension: 54.6 dyne/cm; (17)Density: 1.319 g/cm³; (18)Flash Point: 153.3 °C; (19)Enthalpy of Vaporization: 65.62 kJ/mol; (20)Boiling Point: 324.2 °C at 760 mmHg; (21)Vapour Pressure: 1.95E-05 mmHg at 25°C.

Uses of 2-Nitro-2-Methyl-1,3-Propanediol: it can react with acetaldehyde to get 2,5-dimethyl-5-nitro-[1,3]dioxane. This reaction will need reagent H₂SO₄. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. During using it, you should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)C(C)(CO)CO
(2)InChI: InChI=1/C4H9NO4/c1-4(2-6,3-7)5(8)9/h6-7H,2-3H2,1H3
(3)InChIKey: LOTYADDQWWVBDJ-UHFFFAOYAT

The toxicity data is as follows: