3,3-Dimethyl-1-butanol
ALDRICH/183105 - 97%
Synonym: Neohexanol
CAS Number: 624-95-3
Empirical Formula (Hill Notation): C6H14O
Molecular Weight: 102.17
EC Number: 210-872-6
MDL Number: MFCD00002928
Linear Formula: (CH3)3CCH2CH2OH
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 183105-50G.
| assay | 97% |
| bp | 143 °C (lit.) |
| density | 0.844 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C6H14O/c1-6(2,3)4-5-7/ |
| InChI key | DUXCSEISVMREAX-UHFFFAOYSA |
| mp | −60 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CC(C)(C)CCO |
| Application: | 3,3-Dimethyl-1-butanol is a branched alkanol, which can be used: • As a ligand in the preparation of nickel based single-molecule magnets. • In the synthesis of lipophilic alkyl parabens as antifungal agents. • As a precursor to synthesize hydrocarbon surfactants. |
| General description: | 3,3-Dimethyl-1-butanol is a glass forming material. The molecular dynamics of 3,3-dimethyl-1-butanol was studied. |
| Packaging: | 10, 50 g in glass bottle |
| Symbol |  GHS02 |
| Signal word | Warning |
| Hazard statements | H226 |
| Risk Statements | 10 |
| Safety Statements | 23-24/25 |
| RIDADR | UN 1987C 3 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 116.6 °F - closed cup |
| Flash Point(C) | 47 °C - closed cup |
| Purity | 97% |
| bp | 143 °C (lit.) |
| mp | −60 °C (lit.) |
| Density | 0.844 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |