Dinonyl Phthalate (mixture of isomers)

Product Information

Molecular Formula
C26H42O4
Molecular Weight
418.62
Description
Dinonyl phthalate is an odorless colorless liquid.
Synonyms
Phthalic Acid Dinonyl Ester (mixture of isomers)
IUPAC Name
dinonyl benzene-1,2-dicarboxylate
Canonical SMILES
CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC
InChI
InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3
InChI Key
DROMNWUQASBTFM-UHFFFAOYSA-N
Boiling Point
245 °C/5 mmHg
Flash Point
220 °C
Purity
>95.0%(GC)
Density
0.97
Solubility
Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters
Appearance
Colorless to Light yellow clear liquid
Application
Used in plastisols and coating pastes, as a low-volatility plasticizer for vinyl resins, as a stationary liquid phase in chromatography, and to make vinyl mixes resistant to heat and detergents.
Refractive Index
1.48
LogP
log Kow = 9.52 (est)
Vapor Pressure
0.00000051 [mmHg]
Henry's Law Constant
1.41X10-5 atm-cu m/mol at 25 °C (est)
Decomposition
When heated to decomp it emits acrid smoke and irritating fumes.

Safety Information

Hazards
H413:
May cause long-lasting harmful effects to aquatic life.
Precautionary Statement
P273:
Avoid release to the environment.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
10.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
20
Exact Mass
418.30830982 g/mol
Monoisotopic Mass
418.30830982 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
395
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-114045687-A Mildew-proof antibacterial low-odor PVC coating tent material 2021-12-10
CN-114112597-A Method for preparing milk powder containing phthalate plasticizer and application thereof 2021-12-07
CN-114085143-A Synthesis method of diisodecyl phthalate 2021-11-29
CN-113917757-A Light valve device containing nonlinear structure liquid polymer, nonlinear structure liquid polymer and preparation method thereof 2021-11-26
CN-114015174-A Anti-freezing low-temperature-resistant PVC modified material at-50 ℃ and preparation method thereof 2021-11-16
CN-113956035-A Zirconium oxide composite calcium-phosphorus ceramic slurry and preparation method and application thereof 2021-10-28
CN-113933272-A Fluorescent probe detection method for phthalate plasticizer in food 2021-09-28
CN-113604147-A Waterproof coating for repairing 2021-09-01
CN-113671068-A Method for analyzing environmental pollutant targeting exposure component in blood plasma and application thereof 2021-07-27
CN-113535678-A Construction method of surface water environment priority pollutant list 2021-07-08

Literatures

PMID Publication Date Title Journal
23843199 2014-07-01 Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor α, β, γ subtypes: an in silico approach Journal of applied toxicology : JAT
24503621 2014-01-01 Phthalate levels in cord blood are associated with preterm delivery and fetal growth parameters in Chinese women PloS one
22389718 2012-01-01 Adipocyte-specific protein tyrosine phosphatase 1B deletion increases lipogenesis, adipocyte cell size and is a minor regulator of glucose homeostasis PloS one
21733623 2011-09-15 Subcritical water extraction for the remediation of phthalate ester-contaminated soil Journal of hazardous materials
19291510 2009-03-01 Ameliorative effect of 1,2-benzenedicarboxylic acid dinonyl ester against amyloid beta peptide-induced neurotoxicity Amyloid : the international journal of experimental and clinical investigation : the official journal of the International Society of Amyloidosis
17564456 2007-07-11 Comparison of various extraction methods for policosanol from rice bran wax and establishment of chromatographic fingerprint of policosanol Journal of agricultural and food chemistry
16690494 2006-03-01 Protective effect of Rosa laevigata against amyloid beta peptide-induced oxidative stress Amyloid : the international journal of experimental and clinical investigation : the official journal of the International Society of Amyloidosis
11324602 2001-03-01 Determination of phthalates in crude extracts of sewage sludges by high-resolution capillary gas chromatography with mass spectrometric detection Journal of AOAC International
11174599 2001-02-01 Nasopharyngeal carcinoma: clinical assessment and review of 176 cases Oral surgery, oral medicine, oral pathology, oral radiology, and endodontics
11383157 2001-02-01 [Contents of phthalate in polyvinyl chloride toys] Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan
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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