CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid with an agreeable odor of freshly cut grass; mp = 30.5-31.5 deg C; [Merck Index] Colorless solid with a green herbal odor; [Bedoukian Research MSDS] |
---|---|
Solubility | Insoluble in water; Soluble in fat |
Vapor Pressure | 0.02 [mmHg] |
Kovats Retention Index | 882 891 |
Chemical Classes | Other Classes -> Alcohols and Polyols, Other |
SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H312:Acute toxicity,dermal H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 98.14 g/mol |
---|---|
XLogP3 | 1.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 2 |
Exact Mass | 98.073164938 g/mol |
Monoisotopic Mass | 98.073164938 g/mol |
Topological Polar Surface Area | 20.2 Ų |
Heavy Atom Count | 7 |
Formal Charge | 0 |
Complexity | 72.2 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 2 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(2E,4E)-2,4-hexadien-1-ol is a medium-chain primary fatty alcohol that is hexan-1-ol with two trans double bonds at positions 2 and 4. It has a role as a fragrance and a flavouring agent. It is a primary allylic alcohol, a medium-chain primary fatty alcohol and an alkenyl alcohol.