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1731-92-6

1731-92-6 structural image
Product Name: METHYL HEPTADECANOATE
Formula: C18H36O2
Synonyms: Heptadecanoic acid methyl ester;Methyl heptadecanate;Methyl margarate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Off-white powder; mp = 29.8-30.3 deg C; [Sigma-Aldrich MSDS]
Kovats Retention Index 2009 2008 2008 2010 2001.9 2003.1 2004.2 2005.5 2006.7 2008 2009.3 2010 2014 2007 2011 2013 2013 2009 2006 2008 2009 2007 2005 2007 2011.9 2011.7 2007.4 336.74 347 347.1
Chemical Classes Other Classes -> Esters, Other

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
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 284.5 g/mol
XLogP3 8.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 16
Exact Mass 284.271530387 g/mol
Monoisotopic Mass 284.271530387 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 202
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

Methyl heptadecanoate is a fatty acid methyl ester.