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557-59-5

557-59-5 structural image
Product Name: LIGNOCERIC ACID
Formula: C24H48O2
Synonyms: Tetracosanoic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [Merck Index] White solid; [Sigma-Aldrich MSDS]
Melting Point 84.2 °C
Ionization Efficiency Positive
Collision Cross Section 199.18 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]
Kovats Retention Index 2685
Chemical Classes Lipids -> Unambiguous Lipids

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 P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 368.6 g/mol
XLogP3 10.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 22
Exact Mass 368.365430770 g/mol
Monoisotopic Mass 368.365430770 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 275
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

Tetracosanoic acid is a C24 straight-chain saturated fatty acid. It has a role as a volatile oil component, a plant metabolite, a human metabolite and a Daphnia tenebrosa metabolite. It is a very long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a tetracosanoate.