Description

Neopentyl Alcohol (2,2-Dimethylpropan-1-ol) is a high-purity tertiary alcohol with the molecular formula C₅H₁₂O (CAS No. 75-84-3). This colorless, crystalline solid or liquid (depending on temperature) is characterized by its unique sterically hindered structure, featuring a quaternary carbon center. With a molecular weight of 88.15 g/mol, it exhibits a melting point of 52-54°C and a boiling point of 113-114°C. Neopentyl alcohol is prized for its resistance to oxidation and esterification reactivity, making it a valuable intermediate in organic synthesis. It is packaged under inert gas to ensure stability and is available in various quantities to suit laboratory and industrial-scale applications. Suitable for use in pharmaceuticals, polymer chemistry, and specialty chemical synthesis.

Properties

• CAS Number: 75-84-3
• Complexity: 33.7
• IUPAC Name: 2,2-dimethylpropan-1-ol
• InChI: InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3
• InChI Key: KPSSIOMAKSHJJG-UHFFFAOYSA-N
• LogP: log Kow = 1.31
• Exact Mass: 88.088815002
• Molecular Formula: C5H12O
• Molecular Weight: 88.15
• SMILES: CC(C)(C)CO
• Topological: 20.2
• Monoisotopic Mass: 88.088815002
• Physical Description: Volatile solid with an odor of peppermint; Colorless to white solid; White crystalline solid;
• Color/Form: CRYSTALS
• Odor: PEPPERMINT ODOR
• Boiling Point: 114 °C
• Melting Point: 53 °C
• Flash Point: 98 °F
• Solubility: MISCIBLE WITH ALC, ETHER; IN WATER: ABOUT 3.5% @ 25 °C
• Density: 0.812 @ 20 °C/4 °C
• Vapor Density: 3.0
• Vapor Pressure: 16.0 [mmHg]
• Stability/Shelf Life: VOLATILE
• Viscosity: 2.5 mPa.S @ 20 °C
• Heat of Vaporization: 41.35 kJ/mole @ boiling point
• Surface Tension: 14.87 mN/m
• Synonyms: NEOPENTYL ALCOHOL, 75-84-3, 2,2-Dimethyl-1-propanol, 2,2-Dimethylpropanol, tert-Butylcarbinol, Neopentanol, Neoamyl alcohol, 1-Propanol, 2,2-dimethyl-, tert-Butyl carbinol, 2,2-Dimethylpropyl alcohol, 5I067PJD7S, HSDB 103, EINECS 200-907-3, AI3-20879, NEOPENTYL ALCOHOL [MI], DTXSID9052501, NEOPENTYL ALCOHOL [HSDB], tertButylcarbinol, 2,2Dimethylpropanol, 2,2Dimethyl1propanol, 1Propanol, 2,2dimethyl, 2,2Dimethylpropyl alcohol, DTXCID3031074, 200-907-3, 2,2-dimethylpropan-1-ol, Neopentylalcohol, 2,2,2-Trimethylethanol, 2,2-dimethyl-propan-1-ol, MFCD00004682, UNII-5I067PJD7S, 2-Methyl-isobutanol, 2,2-dimethyl propanol, 2,2-dimethyl-propanol, SCHEMBL5827, 2,2,-dimethyl-1-propanol, (CH3)3CCH2OH, 2,2-dimethyl-propyl alcohol, SCHEMBL15361, SCHEMBL93438, SCHEMBL647844, SCHEMBL905405, 2,2-dimethyl -propyl alcohol, CHEMBL458630, SCHEMBL3024112, SCHEMBL3033018, SCHEMBL6251504, SCHEMBL6272124, SCHEMBL18035705, 2,2-Dimethyl-1-propanol, 99%, AKOS009156382, FD37777, BP-20655, DB-027517, A9631, D0792, NS00001360, EN300-64294, D78368, 2,2-Dimethyl-1-propanol, purum, >=97.0% (GC), Q3270847, Z397587176, InChI=1/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H

Application

Neopentyl alcohol serves as a key building block in the synthesis of neopentyl esters, which are used as plasticizers and lubricant additives due to their thermal stability. It is employed in pharmaceutical intermediates where its hindered structure prevents unwanted side reactions. The compound also finds use in polymer chemistry as a chain terminator or modifier for polyesters and alkyd resins.

Safety and Hazards

GHS Hazard Statements

• H226 (23.8%): Flammable liquid and vapor [Warning Flammable liquids]
• H228 (60.5%): Flammable solid [Danger Flammable solids]
• H319 (21.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (80.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (81.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (23.8%)
• Flam. Sol. 1 (60.5%)
• Eye Irrit. 2A (21.1%)
• Acute Tox. 4 (80.5%)
• STOT SE 3 (81.1%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.