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6066-49-5

6066-49-5 structural image
Product Name: 3-N-BUTYLPHTHALIDE
Formula: C12H14O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless, oily liquid; warm-spicy herbaceous aroma
Boiling Point 177.00 to 178.00 °C. @ 15.00 mm Hg
Solubility Slightly soluble in water; soluble in oil
Density 1.068-1.074
LogP 2.800
Refractive Index 1.524-1.529
Kovats Retention Index 1629

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 190.24 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 190.099379685 g/mol
Monoisotopic Mass 190.099379685 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 212
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

Butylphthalide is a member of benzofurans.