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31565-19-2

31565-19-2 structural image
Product Name: Isooctyl acetate
Formula: C10H20O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Isooctyl acetate appears as a clear colorless liquid with a sweet ester odor. Less dense than water. Vapors heavier than air. Eye contact may cause irritation. Frequent or prolonged skin contact may irritate and cause dermatitis. Vapors irritate the eyes and respiratory tract and may cause headaches and dizziness, are anesthetic and may have other central nervous system effects. Vapors may also cause liver and kidney disorder. Ingestion of the liquid into the respiratory system may cause bronchopneumonia or pulmonary edema.
Kovats Retention Index 1154

COMPUTED DESCRIPTORS

Molecular Weight 172.26 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 7
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 119
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

Isooctyl acetate appears as a clear colorless liquid with a sweet ester odor. Less dense than water. Vapors heavier than air. Eye contact may cause irritation. Frequent or prolonged skin contact may irritate and cause dermatitis. Vapors irritate the eyes and respiratory tract and may cause headaches and dizziness, are anesthetic and may have other central nervous system effects. Vapors may also cause liver and kidney disorder. Ingestion of the liquid into the respiratory system may cause bronchopneumonia or pulmonary edema.