464-07-3
Product Name:
3,3-DIMETHYL-2-BUTANOL
Formula:
C6H14O
Synonyms:
tert-Butyl methyl carbinol;Pinacoline alcohol;Pinacolyl alcohol
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; mp = 5.6 deg C; [HSDB] Clear light yellow liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Color/Form | Colorless, liquid |
| Boiling Point | 120.4 °C |
| Melting Point | 5.6 °C |
| Flash Point | 78.8 °F, 26 °C: closed cup |
| Solubility | Very soluble ethanol, ethyl ether |
| Density | 0.8122 g/cu m |
| Vapor Pressure | 8.81 [mmHg] |
| LogP | log Kow = 1.48 |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating vapors. |
| Refractive Index | Index of refraction = 1.4148 at 20 °C |
| Kovats Retention Index | 721 722 723 722.3 723.4 714.9 712 |
| Chemical Classes | Solvents -> Alcohols (<C12) |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. |
COMPUTED DESCRIPTORS
| Molecular Weight | 102.17 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 102.104465066 g/mol |
| Monoisotopic Mass | 102.104465066 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 51.7 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3,3-Dimethyl-2-butanol is a metabolite found in or produced by Saccharomyces cerevisiae.