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111-06-8

111-06-8 structural image
Product Name: PALMITIC ACID N-BUTYL ESTER
Formula: C20H40O2
Synonyms: Butyl hexadecanoate;Palmitic acid butyl ester
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Light yellow liquid or solid with a pleasant fruity odor; mp = 17 deg C; [Chem Service MSDS]
Vapor Pressure 0.0000172 [mmHg]
Kovats Retention Index 2157 2174 2174 2169 2157
Chemical Classes Other Classes -> Esters, Other

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 312.5 g/mol
XLogP3 8.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 18
Exact Mass 312.302830514 g/mol
Monoisotopic Mass 312.302830514 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 226
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

Butyl hexadecanoate is a hexadecanoate ester obtained by formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of butanol. It has a role as an animal metabolite, a plant metabolite and an insect repellent.