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111-80-8

111-80-8 structural image
Product Name: METHYL 2-NONYNOATE
Formula: C10H16O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 121.00 to 122.00 °C. @ 20.00 mm Hg
Solubility Soluble in oils; Insoluble in water
Density 0.913-0.916
Refractive Index 1.445-1.451
Kovats Retention Index 1310 1310 1311 1311 1312 1321

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H303:Acute toxicity,oral
H317:Sensitisation, Skin
Precautionary Statement Codes P262:Do not get in eyes, on skin, or on clothing.

COMPUTED DESCRIPTORS

Molecular Weight 168.23 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 168.115029749 g/mol
Monoisotopic Mass 168.115029749 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 183
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Methyl non-2-ynoate is a ynoate ester.

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