CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless liquid with a pungent wine-like, cocoa odour |
|---|---|
| Boiling Point | 151.00 to 152.00 °C. @ 760.00 mm Hg |
| Density | 0.823 |
| Refractive Index | 1.418 |
| Kovats Retention Index | 826 854.4 855.2 852 829 825 852 829 829 852 825 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation 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. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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 | 102.17 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| 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 | 35.2 |
| 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-methylpentanol is a primary alcohol that is pentanol substituted by a methyl group at position 3. It has a role as a plant metabolite.