Octadecanedioic acid

Product Information

Molecular Formula:
C18H34O4
Molecular Weight:
314.5
Description
Octadecanedioic acid (CAS# 871-70-5) is one of the fine particle pollutant emissions from the fireplace combustion of woods grown in Southern USA.
Synonyms
1,18-Octadecanedioic acid; 1,16-Hexadecanedicarboxylic acid; Octadecane-1,18-dioic acid
IUPAC Name
octadecanedioic acid
Canonical SMILES
C(CCCCCCCCC(=O)O)CCCCCCCC(=O)O
InChI
InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)
InChI Key
BNJOQKFENDDGSC-UHFFFAOYSA-N
Boiling Point
480.9±18.0 ℃ at 760 mmHg
Melting Point
125 ℃
Purity
> 98.0 % (GC) (T)
Density
1.0±0.1 g/cm3
Appearance
White to off-white powder
LogP
5.39720

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning

Computed Properties

XLogP3
6.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
17
Exact Mass
314.24570956 g/mol
Monoisotopic Mass
314.24570956 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
248
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

Patents

Publication Number Title Priority Date
CN-113999392-A Diamine-modified copolyamide and preparation method thereof 2021-12-15
CN-114058008-A Process for preparing semi-aromatic polyamides end-capped with monocarboxylic acids, semi-aromatic polyamides and molding compositions 2021-12-13
CN-114058009-A Process for preparing semi-aromatic polyamides with reduced loss of diamine monomer, semi-aromatic polyamides and molding compositions 2021-12-13
CN-114058010-A Process for preparing low-energy semiaromatic polyamides, semiaromatic polyamides and moulding compositions 2021-12-13
CN-114133559-A Process for preparing semiaromatic polyamides with reduced salt formation cycle, semiaromatic polyamides and moulding compositions 2021-12-13
CN-113968965-A Semi-aromatic polyamide and preparation method and application thereof 2021-12-01
CN-114044875-A Thermoplastic polyurethane elastomer and preparation method and application thereof 2021-11-04
CN-113845657-A Semi-aromatic polyamide resin and preparation method thereof 2021-10-27
CN-113880935-A Preparation method of Somaloutide full-protection peptide resin and preparation method of Somaloutide 2021-10-25
CN-113942281-A Three-layer co-extrusion liquid crystal polymer composite film and preparation method thereof 2021-10-23

Literatures

PMID Publication Date Title Journal
20566053 2011-01-01 Poly(ester anhydride)/mPEG amphiphilic block co-polymer nanoparticles as delivery devices for paclitaxel Journal of biomaterials science. Polymer edition
20000460 2010-01-11 Two-step biocatalytic route to biobased functional polyesters from omega-carboxy fatty acids and diols Biomacromolecules
18647478 2008-07-01 Quantitative determination of octadecenedioic acid in human skin and transdermal perfusates by gas chromatography-mass spectrometry Journal of chromatographic science
17137348 2006-12-01 Hexadecanedionic acid-sepharose 4B: A new tool for preparation of albumin-depleted plasma Journal of proteome research
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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