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628-46-6

628-46-6 structural image
Product Name: 5-METHYLHEXANOIC ACID
Formula: C7H14O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Melting Point < -25 °C
Solubility soluble in water; miscible with fat
Density 0.912 (24°)
Refractive Index 1.422
Kovats Retention Index 1914

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05
GHS Hazard Statements H314:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
Precautionary Statement Codes P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 130.18 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 130.099379685 g/mol
Monoisotopic Mass 130.099379685 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 86.9
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

5-methyl-hexanoic acid is a medium-chain fatty acid.