137-32-6
Product Name:
2-Methyl-1-butanol
Formula:
C5H12O
Synonyms:
sec-Butyl carbinol;2-Methyl-1-butanol;2-Methylbutyl alcohol, sec-Butyl carbinol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | COLORLESS LIQ |
| Boiling Point | 128 °C @ 760 MM HG |
| Melting Point | FREEZING POINT: LESS THAN -70 °C |
| Flash Point | 50 °C |
| Solubility | MISCIBLE WITH ALC & ETHER |
| Density | 0.816 @ 20 °C/4 °C |
| Vapor Density | 3.0 (Air=1) |
| Vapor Pressure | 3.12 [mmHg] |
| LogP | log Kow= 1.29 (measured) |
| Autoignition Temperature | 725 °F (385 °C). |
| Odor Threshold | Odor Threshold Low: 0.12 [mmHg] Odor Threshold High: 0.23 [mmHg] [Merck Index] Odor threshold from CHEMINFO |
| Refractive Index | INDEX OF REFRACTION: 1.4102 @ 20 °C/D /1-Butanol, 2-methyl (d)/ |
| Kovats Retention Index | 726 705 725 708 710 722 720 729 730 728 729 726 727 758 765 724 726 727 724 718 716 727 714 727 718 727 721 726 723 724.8 719 721 732 714.9 722 706 724 722 718 718 718 720 724 724 716 717 718 718 718 720 716 714 716 718 724 730 738 731 765 723.6 739.2 740.3 |
| Other Experimental Properties | SPECIFIC OPTICAL ROTATION: +3.75 DEG @ 18 °C/D /1-Butanol, 2-methyl (l)/ |
| Chemical Classes | Solvents -> Alcohols (<C12) |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 88.15 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 88.088815002 g/mol |
| Monoisotopic Mass | 88.088815002 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 27.1 |
| 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
2-methylbutan-1-ol is a primary alcohol that is isopentane substituted by a hydroxy group at position 1. It has a role as a Saccharomyces cerevisiae metabolite. It is an alkyl alcohol and a primary alcohol. It derives from a hydride of an isopentane.