Hexanedioic acid

Compound Structure:

Synonyms:

Hexanedioic acid; Adipic acid; Adipinic acid; 1,4-Butanedicarboxylic acid; Acifloctin; Acinetten; Adilactetten; Adipate; 1,6-Hexanedioic acid; Molten adipic acid; Kyselina adipova; Adipinsaeure; Adipinsaure; Adipic-acid; Acide adipique

Compound ID:

NMPC-1124

PubChem ID:

196

Molecular Formula:

C6H10O4

Canonical SMILES:

C(CCC(=O)O)CC(=O)O

InChIKey:

WNLRTRBMVRJNCN-UHFFFAOYSA-N

About the compound:

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. Adipic acid is an alpha,omega-dicarboxylic acid that is the 1,4-dicarboxy derivative of butane. It has a role as a food acidity regulator and a human xenobiotic metabolite. It is an alpha,omega-dicarboxylic acid and a dicarboxylic fatty acid. It is a conjugate acid of an adipate(1-).

GHS Hazard Statements

H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Properties:

Chemical and Physical Properties

Property Name	Property Value
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	74.6Å²
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
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
Boiling Point	338 °C
Melting Point	151.5 °C
Density	1.36 g/cm³
Solubility	Slightly soluble in water. Freely soluble in ethanol
Vapor Pressure	3.02X10-5 Pa at 25 °C (2.27X10-7 mm Hg)

Source: PubChem

Source Species:

Curculigo pilosa

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