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505-54-4

505-54-4 structural image
Product Name: HEXADECANEDIOIC ACID
Formula: C16H30O4
Synonyms: Hexadecanedioic acid;Thapsic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 120 - 123 °C

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 286.41 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 15
Exact Mass 286.21440943 g/mol
Monoisotopic Mass 286.21440943 g/mol
Topological Polar Surface Area 74.6 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 225
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

Hexadecanedioic acid is an alpha,omega-dicarboxylic acid that is the 1,14-dicarboxy derivative of tetradecane. It has a role as a human metabolite. It is an alpha,omega-dicarboxylic acid and a dicarboxylic fatty acid. It is a conjugate acid of a hexadecanedioate(2-).