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2445-78-5

2445-78-5 structural image
Product Name: 2-Methylbutyl 2-methylbutyrate
Formula: C10H20O2
Synonyms: DL-2-Methylbutyric acid 2-methylbutyl ester
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless to pale yellow lquid
Boiling Point 70.00 to 72.00 °C. @ 11.00 mm Hg
Density 0.854-0.864
Refractive Index 1.409-1.509
Kovats Retention Index 1090 1090 1090 1091 1087 1096 1088 1090 1087 1088 1089 1090 1096 1096

SAFETY INFORMATION

Signal word Warning
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 172.26 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 6
Exact Mass 172.146329876 g/mol
Monoisotopic Mass 172.146329876 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 132
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-Methylbutyl 2-methylbutanoate is a fatty acid ester.