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29171-20-8

29171-20-8 structural image
Product Name: 3,7-dimethyloct-6-en-1-yn-3-ol
Formula: C10H16O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless to light yellow liquid with a floral odor; [MSDSonline]
Boiling Point 198.00 to 199.00 °C. @ 760.00 mm Hg
Melting Point -58.00 to -56.00 °C. @ 760.00 mm Hg
Flash Point 85 °C
Vapor Pressure 8.34 [mmHg]
LogP 2.610
Kovats Retention Index 1116 1068.4 1072 1072
Chemical Classes Other Classes -> Other Organic Compounds

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.
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 152.23 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 4
Exact Mass 152.120115130 g/mol
Monoisotopic Mass 152.120115130 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 190
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

Dehydrolinalool is a ynone.