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106-30-9

106-30-9 structural image
Product Name: Ethyl heptanoate
Formula: C9H18O2
Synonyms: Ethyl enanthate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 188.00 to 189.00 °C. @ 760.00 mm Hg
Melting Point -66.1 °C
Solubility 0.29 mg/mL
Density 0.867-0.872
Refractive Index 1.411-1.415
Kovats Retention Index 1081 1082 1081 1108 1088 1080 1080 1084 1084 1084 1080 1084 1089 1077 1081 1096 1081 1075 1082 1082 1080 1082 1081 1080 1084 1080 1081 1082 1082 1078 1062.8 1067.9

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 158.24 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 7
Exact Mass 158.130679813 g/mol
Monoisotopic Mass 158.130679813 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 99.7
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

Ethyl heptanoate is the fatty acid ethyl ester of heptanoic acid. It has a role as a metabolite. It is functionally related to a heptanoic acid.

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