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1517-66-4

1517-66-4 structural image
Product Name: (S)-(+)-3-METHYL-2-BUTANOL
Formula: C5H12O
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SAFETY INFORMATION

Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
H332:Acute toxicity,inhalation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 88.15 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 88.088815002 g/mol
Monoisotopic Mass 88.088815002 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 32.9
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

(S)-(+)-3-Methyl-2-butanol is a natural product found in Dactylanthus taylorii with data available.