17102-64-6
Product Name:
(E,E)-2,4-Hexadien-1-ol
Formula:
C6H10O
Synonyms:
(E,E)-2,4-Hexadien-1-ol;Sorbic alcohol
Inquiry
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] |
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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 |
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Pictogram(s) |
Corrosion Corrosives GHS05 Skull and Crossbones Acute Toxicity GHS06 |
GHS Hazard Statements |
H302:Acute toxicity,oral H311:Acute toxicity,dermal H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 98.14 g/mol |
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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.