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92618-89-8

92618-89-8 structural image
Product Name: D,L-ISOBORNYL ACETATE
Formula: C12H20O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Dry Powder, Liquid; Liquid; Liquid, Other Solid; Other Solid
Color/Form Colorless to very pale straw-colored liquid
Odor Pine needles
Taste Fresh, burning taste
Boiling Point 220-224 °C
Flash Point 190 °F (88 °C) /closed cup/
Solubility Insoluble in water
Density 0.978 at °C
Vapor Pressure 0.6 [mmHg]
LogP log Kow = 4.30
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Refractive Index Index of refraction: 1.462-1.465 at 20 °C
Kovats Retention Index 1595
Other Experimental Properties Insoluble in water at 227 °C
Chemical Classes Other Classes -> Esters, Other

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
H316:Skin corrosion/irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P370+P378:In case of fire: Use … for extinction.
P403+P235:Store in a well-ventilated place. Keep cool.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 196.29 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 196.146329876 g/mol
Monoisotopic Mass 196.146329876 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 270
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Bornyl acetate is a natural product found in Xylopia aromatica, Xylopia sericea, and other organisms with data available.