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4457-71-0

4457-71-0 structural image
Product Name: 3-Methyl-1,5-pentanediol
Formula: C6H14O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Kovats Retention Index 1060

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H319:Serious eye damage/eye irritation
Precautionary Statement Codes P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 118.17 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 118.099379685 g/mol
Monoisotopic Mass 118.099379685 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 39.8
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