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5655-61-8

5655-61-8 structural image
Product Name: L-BORNYL ACETATE
Formula: C12H20O2
Synonyms: endo-(1S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; mp = 24 or 27 deg C; [Merck Index] Colorless or white clear liquid or crystals with a sweet, woody, fresh pine needle odor; mp = 27-29 deg C; [Good Scents MSDS]
Solubility Practically insoluble to insoluble in water
Density 0.981-0.987
Vapor Pressure 0.6 [mmHg]
Refractive Index 1.456-1.462
Kovats Retention Index 1273
Chemical Classes Other Classes -> Esters, Other

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
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.
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 3
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

(-)-Bornyl acetate is a natural product found in Grindelia hirsutula, Psidium guajava, and other organisms with data available.