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106-36-5

106-36-5 structural image
Product Name: Propyl propionate
Formula: C6H12O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 122.00 to 124.00 °C. @ 760.00 mm Hg
Melting Point -75.9 °C
Solubility 5.3 mg/mL at 25 °C
Density 0.873-0.879
Refractive Index 1.391-1.396
Kovats Retention Index 792.4 792.6 778.99 796 796 785 795 807 794 792 792 778 789 789 797 792 787 802 789 798.4 785 792.1 789 793 784.1 785

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H332:Acute toxicity,inhalation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.

COMPUTED DESCRIPTORS

Molecular Weight 116.16 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 116.083729621 g/mol
Monoisotopic Mass 116.083729621 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 68.9
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

Propyl propionate is a propanoate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of propanoic acid. It has a role as a human metabolite, a rat metabolite, a biomarker and a fungal metabolite. It is functionally related to a propan-1-ol.

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