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18409-17-1

18409-17-1 structural image
Product Name: trans-2-Octen-1-ol
Formula: C8H16O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear colourless liquid; Meaty, roasted aroma
Solubility Soluble in hexane, triacetin; Insoluble in water
Density 0.847-0.853
Refractive Index 1.445-1.452
Kovats Retention Index 1055 1052 1045 1048

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
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 128.21 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 5
Exact Mass 128.120115130 g/mol
Monoisotopic Mass 128.120115130 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 67
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(E)-oct-2-en-1-ol is a medium-chain primary fatty alcohol that is (E)-2-octene substituted by a hydroxy group at position 1. It has a role as a flavouring agent and a fragrance. It is an alkenyl alcohol, a medium-chain primary fatty alcohol and a primary allylic alcohol.