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124-04-9

124-04-9 structural image
Product Name: Adipic acid
Formula: C6H10O4
Synonyms: Adipic acid;ADI-PURE high purity adipic acid;ADI-PURE LGA adipic acid;Hexanedioic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Adipic acid is a white crystalline solid. It is insoluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. It is used to make plastics and foams and for other uses.
Color/Form Monoclinic prisms from ethyl acetate, water, or acetone and petroleum ether
Odor Odorless
Taste TART TASTE
Boiling Point 337.5 °C at 760 mm Hg: 265 °C at 100 mm Hg: 240.5 °C at 40 mm Hg: 222 °Cat 20 mm Hg: 205.5 °C at 10 mm Hg; 191 °C at 5 mm Hg; 159.5 °C at 1.0 mm Hg
Melting Point 304 °F (USCG, 1999)
Flash Point 376 °F Combustible solid (USCG, 1999)
Solubility Slightly soluble in water. Freely soluble in ethanol
Density 1.36 at 68 °F (USCG, 1999) - Denser than water; will sink
Vapor Density 5.04 (Air = 1)
Vapor Pressure 3.02X10-5 Pa at 25 °C (2.27X10-7 mm Hg)
LogP log Kow = 0.08
Stability/Shelf Life Stable under recommended storage conditions.
Autoignition Temperature 788 °F; 450 °F (USCG, 1999)
Decomposition Melts and may decompose to give volatile acidic vapors of valeric acid and other substances.
Viscosity Viscosity of melt: 4.54 cP at 160 °C; 2.64 cP at 193 °C
Corrosivity Corrosion rate for ASTM grade 2 Titanium: 0.0 mm/yr at 232 °C for 67% (wt) concn.
Heat of Combustion -2800 kJ/mol
Heat of Vaporization 549 kJ/kg
pH pH of saturated aqueous solution at 25 °C = 2.7; pH of 0.1% solution at 25 °C = 3.2
Ionization Efficiency Positive
Dissociation Constants K1 = 3.90X10-5 at 25 °C; K2 = 5.29X10-6 at 25 °C
Collision Cross Section 129.61 Ų [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Kovats Retention Index 1372.4
Other Experimental Properties PRACTICALLY NON-HYGROSCOPIC
Chemical Classes Other Classes -> Organic Acids

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05
GHS Hazard Statements H318:Serious eye damage/eye irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
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 146.14 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 146.05790880 g/mol
Monoisotopic Mass 146.05790880 g/mol
Topological Polar Surface Area 74.6 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 114
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

Adipic acid is a straight chain aliphatic dicarboxylic acid. It is a white crystalline solid, insoluble in water. Adipic acid can be extracted from petrochemicals or synthesised biologically from renewable substrates. Adipic acid is used in the synthesis of nylon and other polyamides.

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